 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer04_STD_M11_def2SVPD.in
 Output=12_L-valine_conformer04_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-32011.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32019.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer04_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:39:38 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer04_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.639760000000      0.584137000000      1.110557000000
  C                                                 1.310612000000      0.014006000000     -0.268656000000
  C                                                -0.108060000000      0.405959000000     -0.756755000000
  C                                                -1.184071000000     -0.188475000000      0.144559000000
  O                                                -1.578202000000     -1.419243000000     -0.255187000000
  C                                                 1.550309000000     -1.494532000000     -0.314629000000
  N                                                -0.225553000000      1.853842000000     -0.868439000000
  O                                                -1.649297000000      0.352803000000      1.115054000000
  H                                                -0.237834000000     -0.025399000000     -1.750522000000
  H                                                 1.972519000000      0.490983000000     -0.996628000000
  H                                                -2.240025000000     -1.728348000000      0.384417000000
  H                                                -1.052677000000      2.098260000000     -1.400434000000
  H                                                -0.352008000000      2.257550000000      0.053469000000
  H                                                 1.298171000000     -1.912990000000     -1.290687000000
  H                                                 2.600947000000     -1.711329000000     -0.114938000000
  H                                                 0.956373000000     -2.021608000000      0.434148000000
  H                                                 1.551693000000      1.670626000000      1.129751000000
  H                                                 0.982941000000      0.175809000000      1.881037000000
  H                                                 2.667461000000      0.334501000000      1.380071000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:39:39 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528272   0.000000
     3  C    2.563879   1.550644   0.000000
     4  C    3.082873   2.536767   1.524309   0.000000
     5  O    4.029152   3.224846   2.396717   1.352748   0.000000
     6  C    2.521908   1.528154   2.560767   3.064877   3.129981
     7  N    3.001328   2.470737   1.456929   2.473051   3.594276
     8  O    3.297185   3.284889   2.425264   1.204690   2.241152
     9  H    3.476013   2.143634   1.091093   2.124451   2.444466
    10  H    2.135330   1.093422   2.096086   3.424621   4.099551
    11  H    4.574669   4.008656   3.225339   1.882493   0.970901
    12  H    3.980812   3.348159   2.042182   2.762865   3.736388
    13  H    2.808004   2.810971   2.035771   2.585278   3.888139
    14  H    3.481135   2.181288   2.764072   3.345954   3.096703
    15  H    2.773965   2.159948   3.497650   4.088127   4.191691
    16  H    2.777491   2.182463   2.905916   2.832974   2.694828
    17  H    1.090221   2.181296   2.813018   3.451270   4.611029
    18  H    1.091688   2.180534   2.863774   2.800714   3.696904
    19  H    1.091387   2.159180   3.503519   4.078516   4.875996
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.830405   0.000000
     8  O    3.961580   2.866079   0.000000
     9  H    2.723526   2.075998   3.216643   0.000000
    10  H    2.141414   2.589467   4.194740   2.391792   0.000000
    11  H    3.861343   4.296491   2.283414   3.386262   4.957645
    12  H    4.567566   1.013357   3.119336   2.301404   3.449378
    13  H    4.222846   1.014340   2.537318   2.911920   3.102723
    14  H    1.091499   4.085224   4.428202   2.476643   2.514021
    15  H    1.091200   4.611649   4.882427   3.684586   2.454074
    16  H    1.091438   4.255913   3.590401   3.191201   3.064765
    17  H    3.479147   2.680473   3.461677   3.791422   2.467821
    18  H    2.816539   3.440330   2.747132   3.836535   3.059339
    19  H    2.732288   3.966576   4.324924   4.286126   2.481155
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.386162   0.000000
    13  H    4.422840   1.621772   0.000000
    14  H    3.919043   4.650662   4.682227   0.000000
    15  H    4.866688   5.432719   4.949778   1.766431   0.000000
    16  H    3.210208   4.937133   4.490876   1.761726   1.761361
    17  H    5.146423   3.656152   2.264275   4.331870   3.753372
    18  H    4.031525   4.313654   3.075019   3.810812   3.187969
    19  H    5.415726   4.968046   3.817746   3.749549   2.534738
                   16         17         18         19
    16  H    0.000000
    17  H    3.804059   0.000000
    18  H    2.631128   1.767028   0.000000
    19  H    3.061673   1.758644   1.764584   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.18D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.639760    0.584137    1.110557
      2          6           0        1.310612    0.014006   -0.268656
      3          6           0       -0.108060    0.405959   -0.756755
      4          6           0       -1.184071   -0.188475    0.144559
      5          8           0       -1.578202   -1.419243   -0.255187
      6          6           0        1.550309   -1.494532   -0.314629
      7          7           0       -0.225553    1.853842   -0.868439
      8          8           0       -1.649297    0.352803    1.115054
      9          1           0       -0.237834   -0.025399   -1.750522
     10          1           0        1.972519    0.490983   -0.996628
     11          1           0       -2.240025   -1.728348    0.384417
     12          1           0       -1.052677    2.098260   -1.400434
     13          1           0       -0.352008    2.257550    0.053469
     14          1           0        1.298171   -1.912990   -1.290687
     15          1           0        2.600947   -1.711329   -0.114938
     16          1           0        0.956373   -2.021608    0.434148
     17          1           0        1.551693    1.670626    1.129751
     18          1           0        0.982941    0.175809    1.881037
     19          1           0        2.667461    0.334501    1.380071
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3816096           1.7859734           1.4243546
 Leave Link  202 at Thu Aug 12 21:39:39 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       411.0480391764 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:39:39 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.85D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:39:40 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:39:40 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer04_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:39:40 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.868795935484    
 DIIS: error= 3.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.868795935484     IErMin= 1 ErrMin= 3.33D-03
 ErrMax= 3.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.444 Goal=   None    Shift=    0.000
 GapD=    0.444 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.38D-03 MaxDP=2.66D-01              OVMax= 2.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.36D-03    CP:  1.03D+00
 E= -401.886195931170     Delta-E=       -0.017399995686 Rises=F Damp=F
 DIIS: error= 1.34D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.886195931170     IErMin= 2 ErrMin= 1.34D-03
 ErrMax= 1.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.65D-04 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.34D-02
 Coeff-Com:  0.600D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.592D-03 0.999D+00
 Gap=     0.401 Goal=   None    Shift=    0.000
 RMSDP=1.11D-03 MaxDP=5.14D-02 DE=-1.74D-02 OVMax= 9.16D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.07D-04    CP:  1.03D+00  1.14D+00
 E= -401.886928355653     Delta-E=       -0.000732424482 Rises=F Damp=F
 DIIS: error= 1.16D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.886928355653     IErMin= 3 ErrMin= 1.16D-03
 ErrMax= 1.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.42D-04 BMatP= 9.65D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.16D-02
 Coeff-Com: -0.628D-01 0.483D+00 0.580D+00
 Coeff-En:   0.000D+00 0.139D-01 0.986D+00
 Coeff:     -0.621D-01 0.478D+00 0.584D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.26D-04 MaxDP=1.10D-02 DE=-7.32D-04 OVMax= 3.40D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.62D-04    CP:  1.03D+00  1.17D+00  9.84D-01
 E= -401.887422607098     Delta-E=       -0.000494251445 Rises=F Damp=F
 DIIS: error= 1.94D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.887422607098     IErMin= 4 ErrMin= 1.94D-04
 ErrMax= 1.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-05 BMatP= 7.42D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.94D-03
 Coeff-Com: -0.169D-01 0.556D-01 0.149D+00 0.813D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.169D-01 0.555D-01 0.148D+00 0.813D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=7.28D-05 MaxDP=2.51D-03 DE=-4.94D-04 OVMax= 1.59D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.35D-05    CP:  1.03D+00  1.18D+00  1.03D+00  1.14D+00
 E= -401.887444571704     Delta-E=       -0.000021964606 Rises=F Damp=F
 DIIS: error= 9.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.887444571704     IErMin= 5 ErrMin= 9.74D-05
 ErrMax= 9.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-06 BMatP= 2.24D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-02-0.458D-01-0.291D-01 0.358D+00 0.714D+00
 Coeff:      0.207D-02-0.458D-01-0.291D-01 0.358D+00 0.714D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=3.22D-05 MaxDP=1.03D-03 DE=-2.20D-05 OVMax= 8.07D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.43D-05    CP:  1.03D+00  1.18D+00  1.05D+00  1.18D+00  1.11D+00
 E= -401.887450613527     Delta-E=       -0.000006041823 Rises=F Damp=F
 DIIS: error= 3.38D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.887450613527     IErMin= 6 ErrMin= 3.38D-05
 ErrMax= 3.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-07 BMatP= 6.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.288D-02-0.280D-01-0.313D-01 0.824D-01 0.336D+00 0.638D+00
 Coeff:      0.288D-02-0.280D-01-0.313D-01 0.824D-01 0.336D+00 0.638D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.05D-05 MaxDP=3.38D-04 DE=-6.04D-06 OVMax= 3.30D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.67D-06    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.16D+00
                    CP:  1.16D+00
 E= -401.887451431598     Delta-E=       -0.000000818071 Rises=F Damp=F
 DIIS: error= 7.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.887451431598     IErMin= 7 ErrMin= 7.70D-06
 ErrMax= 7.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.41D-08 BMatP= 8.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.266D-03 0.755D-03-0.189D-02-0.354D-01-0.328D-01 0.119D+00
 Coeff-Com:  0.950D+00
 Coeff:      0.266D-03 0.755D-03-0.189D-02-0.354D-01-0.328D-01 0.119D+00
 Coeff:      0.950D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=6.50D-06 MaxDP=2.57D-04 DE=-8.18D-07 OVMax= 2.15D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.24D-06    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.21D+00
                    CP:  1.32D+00  1.27D+00
 E= -401.887451531769     Delta-E=       -0.000000100172 Rises=F Damp=F
 DIIS: error= 2.13D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.887451531769     IErMin= 8 ErrMin= 2.13D-06
 ErrMax= 2.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.33D-09 BMatP= 4.41D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-03 0.300D-02 0.302D-02-0.151D-01-0.377D-01-0.504D-01
 Coeff-Com:  0.152D+00 0.945D+00
 Coeff:     -0.236D-03 0.300D-02 0.302D-02-0.151D-01-0.377D-01-0.504D-01
 Coeff:      0.152D+00 0.945D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=2.88D-06 MaxDP=9.74D-05 DE=-1.00D-07 OVMax= 8.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.22D+00
                    CP:  1.39D+00  1.43D+00  1.20D+00
 E= -401.887451542503     Delta-E=       -0.000000010734 Rises=F Damp=F
 DIIS: error= 9.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.887451542503     IErMin= 9 ErrMin= 9.75D-07
 ErrMax= 9.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.80D-10 BMatP= 4.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.799D-04 0.726D-03 0.949D-03-0.159D-02-0.689D-02-0.244D-01
 Coeff-Com: -0.424D-01 0.257D+00 0.816D+00
 Coeff:     -0.799D-04 0.726D-03 0.949D-03-0.159D-02-0.689D-02-0.244D-01
 Coeff:     -0.424D-01 0.257D+00 0.816D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=7.53D-07 MaxDP=7.70D-05 DE=-1.07D-08 OVMax= 2.34D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.90D-07    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.23D+00
                    CP:  1.40D+00  1.48D+00  1.31D+00  1.18D+00
 E= -401.887451543598     Delta-E=       -0.000000001095 Rises=F Damp=F
 DIIS: error= 3.23D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.887451543598     IErMin=10 ErrMin= 3.23D-07
 ErrMax= 3.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.20D-11 BMatP= 5.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.594D-05-0.190D-03-0.123D-03 0.165D-02 0.360D-02 0.265D-03
 Coeff-Com: -0.326D-01-0.658D-01 0.222D+00 0.871D+00
 Coeff:      0.594D-05-0.190D-03-0.123D-03 0.165D-02 0.360D-02 0.265D-03
 Coeff:     -0.326D-01-0.658D-01 0.222D+00 0.871D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=3.37D-07 MaxDP=1.81D-05 DE=-1.10D-09 OVMax= 9.21D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.62D-07    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.23D+00
                    CP:  1.41D+00  1.49D+00  1.34D+00  1.35D+00  1.11D+00
 E= -401.887451543760     Delta-E=       -0.000000000162 Rises=F Damp=F
 DIIS: error= 9.65D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.887451543760     IErMin=11 ErrMin= 9.65D-08
 ErrMax= 9.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.78D-12 BMatP= 8.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-04-0.128D-03-0.141D-03 0.542D-03 0.163D-02 0.295D-02
 Coeff-Com: -0.151D-02-0.460D-01-0.523D-01 0.182D+00 0.913D+00
 Coeff:      0.111D-04-0.128D-03-0.141D-03 0.542D-03 0.163D-02 0.295D-02
 Coeff:     -0.151D-02-0.460D-01-0.523D-01 0.182D+00 0.913D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=5.86D-06 DE=-1.62D-10 OVMax= 2.80D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.42D-08    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.23D+00
                    CP:  1.41D+00  1.50D+00  1.35D+00  1.40D+00  1.23D+00
                    CP:  1.15D+00
 E= -401.887451543772     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 3.68D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.887451543772     IErMin=12 ErrMin= 3.68D-08
 ErrMax= 3.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.56D-13 BMatP= 7.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.968D-06 0.315D-06-0.708D-05-0.915D-04-0.148D-03 0.360D-03
 Coeff-Com:  0.307D-02 0.448D-03-0.276D-01-0.596D-01 0.123D+00 0.960D+00
 Coeff:      0.968D-06 0.315D-06-0.708D-05-0.915D-04-0.148D-03 0.360D-03
 Coeff:      0.307D-02 0.448D-03-0.276D-01-0.596D-01 0.123D+00 0.960D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=2.83D-08 MaxDP=1.64D-06 DE=-1.22D-11 OVMax= 9.65D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.03D+00  1.18D+00  1.06D+00  1.19D+00  1.23D+00
                    CP:  1.41D+00  1.50D+00  1.35D+00  1.41D+00  1.25D+00
                    CP:  1.25D+00  1.21D+00
 E= -401.887451543796     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 1.42D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.887451543796     IErMin=13 ErrMin= 1.42D-08
 ErrMax= 1.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-13 BMatP= 7.56D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.135D-05 0.182D-04 0.185D-04-0.949D-04-0.264D-03-0.316D-03
 Coeff-Com:  0.875D-03 0.631D-02 0.114D-02-0.388D-01-0.104D+00 0.221D+00
 Coeff-Com:  0.913D+00
 Coeff:     -0.135D-05 0.182D-04 0.185D-04-0.949D-04-0.264D-03-0.316D-03
 Coeff:      0.875D-03 0.631D-02 0.114D-02-0.388D-01-0.104D+00 0.221D+00
 Coeff:      0.913D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=8.41D-09 MaxDP=4.28D-07 DE=-2.33D-11 OVMax= 5.02D-07

 SCF Done:  E(RM11) =  -401.887451544     A.U. after   13 cycles
            NFock= 13  Conv=0.84D-08     -V/T= 2.0115
 KE= 3.973357063648D+02 PE=-1.758186601844D+03 EE= 5.479154047586D+02
 Leave Link  502 at Thu Aug 12 21:41:04 2021, MaxMem=  5368709120 cpu:             665.5 elap:              83.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.33583520D+02

 Leave Link  801 at Thu Aug 12 21:41:04 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.70D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.17D-01 3.38D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.75D-02 2.60D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.37D-03 6.37D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 8.75D-05 1.34D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.52D-06 2.80D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.37D-07 5.17D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 3.83D-09 9.90D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 7.95D-11 1.15D-06.
     10 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.37D-12 1.75D-07.
      2 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 2.40D-14 2.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.806111D+02
      2  0.259831D+00  0.815737D+02
      3 -0.122447D+01  0.186081D+01  0.734531D+02
 Isotropic polarizability for W=    0.088559       78.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.769577D+02 -0.252576D+02  0.268042D+02
      2  -0.386353D+02  0.120990D+02 -0.223886D+02
      3  -0.383225D+02  0.131586D+02 -0.441555D+01
      4  -0.155147D+02  0.363912D+02  0.334915D+01
      5   0.196283D+02  0.288843D+01  0.398615D+02
      6   0.825382D+01 -0.147661D+02  0.798371D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.188374D+01 -0.246768D+01 -0.133804D+01
      2   0.138339D+02 -0.257465D+01  0.255496D+02
      3   0.112887D+02 -0.271912D+02  0.307834D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.460725D+00  0.762250D+01  0.517486D+01
      2   0.717588D+01 -0.490467D+01  0.781839D+02
      3   0.974292D+01 -0.750265D+02  0.536539D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.136661D+00 -0.991761D+00 -0.622952D+00
      2  -0.991761D+00 -0.628866D+00  0.805061D+00
      3  -0.622952D+00  0.805061D+00 -0.887849D+00
 OR G Eigenvalues:    -1.6044    -1.0373     1.2617  Iso=     0.4600
 Eigenvectors:
   (1)   0.176945   0.727212  -0.663214
   (2)   0.671055   0.403796   0.621799
   (3)   0.719983  -0.555077  -0.416550
 w=    0.088559 a.u., Optical Rotation Beta=      0.4600 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      199.12 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 8.15D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 4.21D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 6.13D-02 2.98D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 2.29D-03 9.75D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 4.60D-05 8.53D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 6.59D-07 6.63D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 8.01D-09 1.17D-05.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 8.77D-11 1.07D-06.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 7.48D-13 7.86D-08.
      3 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 5.59D-15 6.90D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.91D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.91D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.79D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.806111D+02  0.259831D+00 -0.122447D+01
      2   0.259831D+00  0.815737D+02  0.186081D+01
      3  -0.122447D+01  0.186081D+01  0.734531D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.188374D+01 -0.246768D+01 -0.133804D+01
      2   0.138339D+02 -0.257465D+01  0.255496D+02
      3   0.112887D+02 -0.271912D+02  0.307834D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.769577D+02 -0.252576D+02  0.268042D+02
      2  -0.386353D+02  0.120990D+02 -0.223886D+02
      3  -0.383225D+02  0.131586D+02 -0.441555D+01
      4  -0.155147D+02  0.363912D+02  0.334915D+01
      5   0.196283D+02  0.288843D+01  0.398615D+02
      6   0.825382D+01 -0.147661D+02  0.798371D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.605423D+01  0.218678D+01 -0.367771D+01  0.262202D+01  0.926650D+00
      2   0.218678D+01  0.104477D+01 -0.134083D-01  0.926650D+00 -0.637126D+01
      3  -0.367771D+01 -0.134083D-01  0.183882D+01  0.280101D+00 -0.775912D+00
                 6             7             8             9            10 
      1   0.280101D+00 -0.279960D+01  0.133132D+00  0.240738D+01  0.570376D+01
      2  -0.775912D+00  0.133132D+00 -0.129771D+00  0.307926D+01 -0.340558D+01
      3   0.269763D+01  0.240738D+01  0.307926D+01  0.517961D+00  0.317112D+01
                11            12            13            14            15 
      1  -0.340558D+01  0.317112D+01 -0.455396D+01 -0.177767D+01  0.650212D+00
      2  -0.106809D+01  0.118437D+00 -0.177767D+01  0.382769D+01  0.108183D+01
      3   0.118437D+00 -0.266282D+01  0.650212D+00  0.108183D+01 -0.371521D+01
                16            17            18            19            20 
      1   0.549510D+01  0.121332D+00 -0.320492D+01 -0.618441D+01  0.429215D+01
      2   0.121332D+00  0.965366D+00 -0.417380D+01  0.429215D+01  0.135492D+01
      3  -0.320492D+01 -0.417380D+01 -0.814377D+00 -0.206830D+01 -0.733250D+00
                21            22            23            24            25 
      1  -0.206830D+01  0.247058D+01  0.977158D+00 -0.273269D-01 -0.317737D+01
      2  -0.733250D+00  0.977158D+00 -0.170441D+01  0.732017D+00 -0.105923D+01
      3   0.116465D+01 -0.273269D-01  0.732017D+00  0.285879D+01  0.133181D+01
                26            27            28            29            30 
      1  -0.105923D+01  0.133181D+01  0.551973D+00 -0.211258D+01 -0.104924D+00
      2  -0.705198D+00  0.332572D+01 -0.211258D+01  0.680533D+00  0.117539D+01
      3   0.332572D+01  0.383164D+01 -0.104924D+00  0.117539D+01  0.206703D+00
                31            32            33            34            35 
      1  -0.156439D+01 -0.495395D+00  0.180257D+01 -0.248878D+01  0.165336D+01
      2  -0.495395D+00 -0.681152D+00  0.604560D+00  0.165336D+01  0.478274D-01
      3   0.180257D+01  0.604560D+00 -0.273335D+01  0.698148D+00 -0.241611D+01
                36            37            38            39            40 
      1   0.698148D+00  0.259709D+01  0.534065D+00 -0.234046D+01 -0.996438D-01
      2  -0.241611D+01  0.534065D+00  0.130110D+01 -0.121012D+01  0.519414D+00
      3  -0.290053D+01 -0.234046D+01 -0.121012D+01  0.864300D+00 -0.144384D+01
                41            42            43            44            45 
      1   0.519414D+00 -0.144384D+01 -0.358469D+01 -0.248408D+01  0.397523D+00
      2  -0.359993D+01 -0.190119D+01 -0.248408D+01 -0.344957D+01 -0.346279D+00
      3  -0.190119D+01  0.271843D+00  0.397523D+00 -0.346279D+00 -0.248873D+01
                46            47            48            49            50 
      1  -0.614202D+01  0.316826D+01 -0.206287D+01  0.220580D+01  0.193275D+01
      2   0.316826D+01  0.140426D+01  0.525726D-01  0.193275D+01 -0.289619D+01
      3  -0.206287D+01  0.525726D-01  0.263327D+01 -0.208530D+00 -0.461903D+00
                51            52            53            54            55 
      1  -0.208530D+00 -0.240703D+01 -0.107262D-01  0.236582D+01  0.435316D+01
      2  -0.461903D+00 -0.107262D-01 -0.392349D-02  0.428254D+01 -0.188997D+01
      3   0.373314D+01  0.236582D+01  0.428254D+01  0.302633D+01  0.239334D+01
                56            57            58            59            60 
      1  -0.188997D+01  0.239334D+01 -0.873416D+00  0.573880D+00 -0.408667D+00
      2   0.181578D+01 -0.399316D+00  0.573880D+00  0.418777D+01 -0.168687D+01
      3  -0.399316D+00  0.177468D+01 -0.408667D+00 -0.168687D+01 -0.128124D+01
                61            62            63            64            65 
      1   0.247535D+01 -0.448566D+00  0.159591D+01 -0.392208D+01  0.176182D+01
      2  -0.448566D+00 -0.194733D+01 -0.845970D+00  0.176182D+01 -0.175280D+01
      3   0.159591D+01 -0.845970D+00 -0.317548D+01  0.296842D+01 -0.702368D+00
                66            67            68            69            70 
      1   0.296842D+01  0.276167D+01 -0.131941D+01 -0.101811D+01  0.466901D+01
      2  -0.702368D+00 -0.131941D+01  0.377132D+01  0.188196D+01 -0.516005D+00
      3  -0.183080D+01 -0.101811D+01  0.188196D+01  0.228906D+01 -0.273289D+01
                71            72            73            74            75 
      1  -0.516005D+00 -0.273289D+01  0.309132D+00 -0.897509D+00 -0.106972D+01
      2   0.303626D+01  0.216021D+01 -0.897509D+00 -0.185999D+00 -0.683609D-01
      3   0.216021D+01  0.759973D+01 -0.106972D+01 -0.683609D-01 -0.674760D+00
                76            77            78            79            80 
      1  -0.121153D+01 -0.273204D+00 -0.181058D+00 -0.103779D+01  0.485990D-01
      2  -0.273204D+00 -0.101643D+01 -0.162317D+01  0.485990D-01 -0.168985D+01
      3  -0.181058D+00 -0.162317D+01 -0.184730D+01 -0.980360D+00 -0.156435D+01
                81            82            83            84            85 
      1  -0.980360D+00  0.326600D+01  0.166691D+01 -0.262477D+01  0.226845D+01
      2  -0.156435D+01  0.166691D+01  0.159273D+01 -0.684053D+00  0.166813D+01
      3  -0.739393D+01 -0.262477D+01 -0.684053D+00  0.251740D+01 -0.807411D+00
                86            87            88            89            90 
      1   0.166813D+01 -0.807411D+00 -0.329825D+01 -0.644666D+00  0.272261D+01
      2   0.150204D+01 -0.152939D+01 -0.644666D+00 -0.168753D+01  0.184176D+01
      3  -0.152939D+01  0.186382D+01  0.272261D+01  0.184176D+01 -0.401903D+01
                91            92            93            94            95 
      1  -0.451362D+01 -0.295872D+01  0.136479D+01 -0.199848D+01 -0.191991D+01
      2  -0.295872D+01 -0.300397D+01  0.964602D+00 -0.191991D+01 -0.307619D+01
      3   0.136479D+01  0.964602D+00 -0.131977D+01  0.694791D+00  0.729516D+00
                96            97            98            99           100 
      1   0.694791D+00  0.290575D+01  0.213648D+01 -0.175688D+01 -0.463099D+01
      2   0.729516D+00  0.213648D+01  0.247369D+01 -0.145631D+01  0.292994D+01
      3  -0.898708D+00 -0.175688D+01 -0.145631D+01  0.154502D+01 -0.268860D+01
               101           102           103           104           105 
      1   0.292994D+01 -0.268860D+01  0.177555D+01 -0.152714D+01  0.758593D+00
      2  -0.255576D+01  0.149187D+01 -0.152714D+01  0.193042D+01 -0.904073D+00
      3   0.149187D+01 -0.207625D+01  0.758593D+00 -0.904073D+00  0.801671D+00
               106           107           108           109           110 
      1  -0.307069D+01  0.131239D+01 -0.201410D+01 -0.268601D+00  0.717958D+00
      2   0.131239D+01 -0.168378D+01  0.144068D+01  0.717958D+00 -0.473113D+00
      3  -0.201410D+01  0.144068D+01 -0.229506D+01  0.118349D+00 -0.443283D+00
               111           112           113           114           115 
      1   0.118349D+00  0.825861D+00 -0.385636D+00 -0.465829D+00  0.100179D+01
      2  -0.443283D+00 -0.385636D+00  0.244547D+01  0.110646D+01 -0.518888D+00
      3  -0.614672D-01 -0.465829D+00  0.110646D+01  0.176620D+01 -0.911978D-01
               116           117           118           119           120 
      1  -0.518888D+00 -0.911978D-01 -0.260380D+00 -0.866503D+00 -0.849764D+00
      2   0.282903D+01  0.168961D+01 -0.866503D+00 -0.919994D+00 -0.464616D+00
      3   0.168961D+01  0.340988D+01 -0.849764D+00 -0.464616D+00 -0.113787D+01
               121           122           123           124           125 
      1  -0.601633D+00 -0.375167D+00 -0.101580D+00 -0.108240D+01  0.840576D-01
      2  -0.375167D+00 -0.240972D+01 -0.213843D+01  0.840576D-01 -0.324636D+01
      3  -0.101580D+00 -0.213843D+01 -0.237113D+01 -0.592505D+00 -0.336271D+01
               126           127           128           129           130 
      1  -0.592505D+00  0.918594D+01 -0.336699D+01  0.854761D+00 -0.171620D+01
      2  -0.336271D+01 -0.336699D+01  0.262612D+01 -0.116062D+00  0.170298D+01
      3  -0.642136D+01  0.854761D+00 -0.116062D+00  0.103785D+01 -0.136988D+00
               131           132           133           134           135 
      1   0.170298D+01 -0.136988D+00  0.126197D+01 -0.484284D+00  0.105126D+01
      2  -0.122359D+01  0.241846D+00 -0.484284D+00  0.576941D+00 -0.967039D+00
      3   0.241846D+00 -0.525479D+00  0.105126D+01 -0.967039D+00  0.181032D+00
               136           137           138           139           140 
      1  -0.186537D+01 -0.116790D+01  0.130986D+01 -0.999582D+00 -0.100483D+01
      2  -0.116790D+01 -0.193249D+01  0.672008D+00 -0.100483D+01 -0.300589D+01
      3   0.130986D+01  0.672008D+00 -0.157915D+01  0.461586D+00  0.148992D+01
               141           142           143           144           145 
      1   0.461586D+00  0.150564D+01  0.469049D+00 -0.121366D+01  0.565102D+00
      2   0.148992D+01  0.469049D+00  0.265897D+01 -0.212974D+01  0.931793D+00
      3  -0.166985D+01 -0.121366D+01 -0.212974D+01  0.267043D+01  0.442943D+00
               146           147           148           149           150 
      1   0.931793D+00  0.442943D+00  0.130171D+01  0.289276D+00  0.469146D+00
      2  -0.108719D+00  0.177386D-01  0.289276D+00  0.871230D+01  0.154310D+01
      3   0.177386D-01 -0.347938D+00  0.469146D+00  0.154310D+01  0.165881D+01
               151           152           153           154           155 
      1   0.826809D-01  0.729121D-01 -0.329658D+00 -0.184668D+01 -0.846201D+00
      2   0.729121D-01  0.644652D+00  0.916864D+00 -0.846201D+00 -0.106786D+01
      3  -0.329658D+00  0.916864D+00  0.272169D+00  0.152445D+01  0.361856D+00
               156           157           158           159           160 
      1   0.152445D+01 -0.110675D+01 -0.681530D+00  0.257538D+00  0.152852D+01
      2   0.361856D+00 -0.681530D+00 -0.498845D+00  0.108242D+01  0.305103D+00
      3  -0.257864D+01  0.257538D+00  0.108242D+01 -0.199429D+01 -0.139439D+01
               161           162           163           164           165 
      1   0.305103D+00 -0.139439D+01  0.915620D+01 -0.677741D+00  0.333907D+01
      2   0.106125D+01 -0.100723D+01 -0.677741D+00  0.124858D+01 -0.196333D-01
      3  -0.100723D+01  0.492343D+01  0.333907D+01 -0.196333D-01  0.223179D+01
               166           167           168           169           170 
      1  -0.150605D+01  0.116966D+01 -0.575208D+00  0.202079D+01 -0.169975D+00
      2   0.116966D+01  0.106614D+00  0.527318D+00 -0.169975D+00  0.249315D+00
      3  -0.575208D+00  0.527318D+00 -0.904410D+00  0.174010D+01 -0.467109D+00
               171 
      1   0.174010D+01
      2  -0.467109D+00
      3   0.153088D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.591302D+01  0.151850D+01 -0.122418D+01  0.256502D-01 -0.103629D+02
      2   0.506319D+00 -0.226149D+01  0.129905D+02 -0.234326D+01 -0.292307D+01
      3  -0.865412D+01 -0.293544D+01 -0.332780D+01  0.212689D+01  0.126580D+02
                 6             7             8             9            10 
      1  -0.699473D+01 -0.125498D+01 -0.584319D+00  0.355933D+01  0.140583D+01
      2   0.504591D+01  0.684207D+01  0.592353D+01 -0.239373D+01  0.105525D+02
      3   0.188440D+01 -0.251471D+01  0.890592D-01 -0.398895D+01  0.519338D+01
                11            12            13            14            15 
      1  -0.178914D+00 -0.259224D+00 -0.128556D+01 -0.457670D+00 -0.388353D+01
      2  -0.296761D+00  0.499913D+00 -0.350819D+01  0.100422D+01 -0.418006D+01
      3  -0.127932D+01 -0.185177D+01  0.579121D+01 -0.657297D+01  0.449522D+00
                16            17            18            19            20 
      1  -0.857495D+00  0.333261D+01  0.139352D+01 -0.302705D+01 -0.222079D+01
      2  -0.403646D+01 -0.439913D+01 -0.288636D+01 -0.598912D+01  0.816954D+00
      3   0.249335D+01  0.237656D-01  0.506634D+01 -0.297827D+00 -0.245968D+01
                21            22            23            24            25 
      1  -0.752521D+00 -0.110017D+01  0.350261D+01 -0.293928D+01  0.703328D-01
      2   0.167917D+01  0.195638D+01 -0.871074D+00  0.207777D+01 -0.100743D+02
      3   0.167098D+01  0.354553D+01 -0.141136D+01  0.145050D+01 -0.232676D+01
                26            27            28            29            30 
      1   0.325689D+01 -0.476717D+01  0.123833D+01  0.501374D+01  0.179432D+01
      2   0.360291D+00 -0.314182D+00 -0.950604D+01 -0.301665D+01  0.203724D+01
      3   0.867717D+00  0.481845D+00 -0.857337D+01 -0.365469D+01  0.337545D+00
                31            32            33            34            35 
      1   0.254771D+01 -0.588033D+01 -0.138045D+01  0.143870D+01  0.796477D+00
      2   0.256003D+01  0.249942D+01 -0.137486D+01 -0.412135D+01 -0.182059D+01
      3   0.215478D+01  0.415670D+01 -0.540820D+01 -0.538956D+01 -0.106499D+02
                36            37            38            39            40 
      1   0.390504D+01 -0.292506D+01 -0.103334D+01 -0.237509D-01 -0.297399D+00
      2   0.113572D+02  0.475051D+01  0.353347D+01  0.102670D+00 -0.156911D+01
      3  -0.364348D+00 -0.160985D+01 -0.106130D-02  0.594589D+00  0.537069D+01
                41            42            43            44            45 
      1   0.825853D-01 -0.473783D+01  0.319316D+01  0.391005D+01 -0.472042D+01
      2   0.258528D+01  0.107068D+01 -0.470246D+01  0.100990D+01  0.484765D+01
      3  -0.671054D+01 -0.161535D+01  0.208688D+01 -0.471965D+00 -0.285004D+01
                46            47            48            49            50 
      1  -0.512060D+01 -0.551398D+00  0.505212D+01 -0.990086D+00  0.955060D+00
      2  -0.623967D+01  0.821169D+00  0.566549D+01  0.410114D+00  0.121426D+00
      3   0.526032D+01 -0.131162D+02  0.359606D+01 -0.613634D+01  0.208443D+01
                51            52            53            54            55 
      1   0.543146D+01  0.327259D+01  0.121531D+02  0.469257D+01 -0.379750D+01
      2   0.622003D+01  0.984023D+00  0.766683D+01  0.582629D+01  0.513875D+01
      3   0.912112D+00  0.415121D+01  0.149622D+00 -0.124199D+02  0.910182D+01
                56            57            58            59            60 
      1  -0.908424D-01 -0.508562D+01  0.218163D-01 -0.226459D+01  0.450403D+00
      2  -0.119230D+01  0.499415D+01  0.991939D-01  0.175169D+01 -0.348167D+00
      3  -0.975836D+01  0.621696D+01  0.204024D+01  0.297116D+01 -0.993138D+00
                61            62            63            64            65 
      1  -0.460325D+01  0.976506D+01  0.901844D+01  0.526017D+00 -0.390630D+01
      2  -0.276264D+00  0.730823D+00  0.193350D+01  0.177409D+00  0.192303D+01
      3   0.403468D+01 -0.129418D+01  0.407323D+01  0.343384D+01 -0.543592D+01
                66            67            68            69            70 
      1   0.645710D+00 -0.836208D+00  0.368437D+01 -0.154374D+01 -0.436011D+00
      2   0.528351D+01  0.383487D+00 -0.477461D+01 -0.213099D+01 -0.244074D+01
      3  -0.125695D+01  0.200650D+01  0.515110D+01  0.466227D+01  0.477358D+01
                71            72            73            74            75 
      1   0.718898D+01  0.115160D-01  0.147364D+01  0.453812D+00  0.449133D+00
      2  -0.293741D+01 -0.138216D+02  0.144080D-01 -0.746641D+00 -0.332137D+00
      3   0.819922D+01  0.277115D+01 -0.659714D-01 -0.105950D+01 -0.787995D+00
                76            77            78            79            80 
      1   0.258356D+00  0.251522D+01  0.135022D+01 -0.556411D-02  0.468848D+01
      2  -0.167749D+01 -0.410331D-01 -0.163945D+00 -0.275215D+01  0.329376D+00
      3   0.126480D+01 -0.510529D+00 -0.765149D+00  0.433788D+00 -0.610770D+00
                81            82            83            84            85 
      1   0.295438D+01 -0.597400D+00 -0.145399D+01 -0.351786D+00 -0.512269D+00
      2  -0.640189D-01 -0.130868D+01  0.101586D+00  0.364806D+01  0.154205D+01
      3  -0.109030D+01 -0.167615D+01 -0.357587D+01  0.551383D+00  0.255969D+00
                86            87            88            89            90 
      1  -0.101021D+01 -0.729293D+00 -0.127057D+00  0.231386D+01 -0.180915D+00
      2  -0.113572D+01  0.282029D+01 -0.720148D+00  0.245280D+01 -0.455604D+01
      3  -0.254660D+01  0.196641D+01 -0.995789D+00  0.304460D+01 -0.195951D+01
                91            92            93            94            95 
      1   0.286441D+01  0.190250D+01 -0.270071D+01  0.200806D+01  0.212028D+01
      2  -0.254848D+01 -0.276347D+01  0.311181D+01 -0.160715D+01 -0.210738D+01
      3   0.175506D+01 -0.210753D+01 -0.607533D+00  0.840317D+00 -0.217682D+01
                96            97            98            99           100 
      1  -0.189069D+01 -0.283521D+01 -0.167851D+01  0.293395D+01  0.296141D+01
      2   0.225202D+01  0.258675D+01  0.279580D+01 -0.401167D+01 -0.506208D+01
      3   0.361211D+00 -0.107420D+01  0.202558D+01 -0.386340D+00 -0.100165D+02
               101           102           103           104           105 
      1   0.185052D-01  0.383876D+01 -0.186548D+00 -0.132021D+00 -0.145719D+01
      2   0.220176D+01 -0.676721D+00  0.164454D+01 -0.128387D+01  0.185570D+00
      3   0.406009D+01 -0.572892D+01  0.477956D+01 -0.215946D+01  0.141081D+01
               106           107           108           109           110 
      1   0.294572D+01 -0.372295D+00  0.275006D+01 -0.100458D+01  0.137092D+01
      2  -0.350094D+01  0.815081D+00 -0.927339D+00  0.104779D-01  0.496314D+00
      3  -0.712389D+01  0.185072D+01 -0.390526D+01 -0.297802D+00  0.165390D+00
               111           112           113           114           115 
      1   0.986973D+00  0.142078D+01 -0.491038D+01 -0.607555D+01  0.969601D+00
      2   0.581263D-01  0.492502D+00 -0.892013D+00 -0.105302D+01 -0.122061D+01
      3   0.650180D+00  0.203222D+01 -0.545369D+00 -0.461649D+00  0.333064D+01
               116           117           118           119           120 
      1  -0.551223D+01 -0.120321D+02 -0.880163D+00  0.188799D+00 -0.239995D+01
      2  -0.107705D+01 -0.137305D+01 -0.217066D+01 -0.986240D+00 -0.153745D+01
      3  -0.162719D+00  0.328093D-02  0.309934D+01  0.221950D+01  0.216494D+01
               121           122           123           124           125 
      1  -0.137052D-01 -0.195339D+01 -0.475731D+01 -0.167563D+01 -0.167928D+01
      2  -0.103705D+01 -0.364607D+01 -0.378965D+01 -0.400914D+01 -0.497994D+01
      3   0.325859D+01  0.453903D+01  0.402640D+01  0.281242D+01  0.521555D+01
               126           127           128           129           130 
      1  -0.108039D+02  0.305633D+01 -0.856397D+00  0.267792D+01 -0.110234D+01
      2  -0.103835D+02  0.478614D+01 -0.117203D+01  0.472364D+01 -0.760239D+00
      3   0.739525D+01 -0.110592D+02 -0.196139D+01 -0.167738D+01  0.181804D+01
               131           132           133           134           135 
      1   0.853407D+00 -0.199157D+01  0.167202D+01 -0.837716D+00  0.866271D+00
      2   0.123927D+01 -0.153661D+01  0.137353D+01 -0.179891D+01  0.100481D+01
      3  -0.517707D+00 -0.246690D+00 -0.176265D+01 -0.647725D+00  0.430723D+00
               136           137           138           139           140 
      1   0.305991D+01  0.115444D+01 -0.399260D+01  0.150476D+01  0.319055D+01
      2   0.280336D+01  0.859933D+00 -0.143661D+01  0.117775D+01  0.222093D+01
      3   0.790397D+01  0.466752D+01 -0.412719D+01  0.584209D+01  0.665484D+01
               141           142           143           144           145 
      1  -0.511867D+01 -0.282069D+01 -0.279988D+01  0.637613D+01  0.808856D+00
      2  -0.217442D+01 -0.359236D+01 -0.321754D+01  0.358460D+01  0.106523D+01
      3  -0.406500D+01 -0.488664D+01 -0.499255D+01  0.643357D+01 -0.143073D+01
               146           147           148           149           150 
      1  -0.933407D+00  0.691208D+00 -0.107974D+01  0.115854D+02 -0.242095D+01
      2  -0.106580D+01 -0.607322D+00 -0.153106D+01  0.338495D+01  0.252727D+01
      3   0.600542D+00  0.797624D-01  0.388210D+01 -0.159943D+02 -0.160916D+01
               151           152           153           154           155 
      1   0.825835D+00  0.826543D+00  0.966998D+00 -0.255689D+01 -0.288820D+01
      2  -0.188952D+01  0.156530D+01  0.572483D+00  0.857888D+01  0.244244D+01
      3  -0.189077D+00 -0.712315D+00 -0.223343D+01  0.564761D+00  0.389803D+00
               156           157           158           159           160 
      1   0.188427D+01 -0.124489D+01 -0.193453D+01  0.163666D+01  0.188706D+01
      2  -0.616670D+01  0.280465D+01  0.305039D+01 -0.377720D+01 -0.751195D+01
      3   0.637128D+00  0.161497D+01  0.997050D-01 -0.154017D+01  0.370761D+00
               161           162           163           164           165 
      1   0.431738D+01 -0.458683D+01 -0.339849D+01  0.249236D+01 -0.123008D+01
      2  -0.280486D+01  0.109447D+02 -0.616575D+01  0.123666D+01  0.269107D+01
      3  -0.865352D+00  0.485089D+00  0.724734D+01 -0.554906D+01  0.192974D+01
               166           167           168           169           170 
      1   0.146833D+01 -0.515445D+00  0.323603D+00 -0.153743D+01  0.170602D+01
      2   0.962839D+00 -0.182730D+00 -0.167061D+01 -0.125144D+01 -0.738879D+00
      3  -0.217467D+01  0.955268D+00 -0.102985D+01  0.177596D+01 -0.105831D+01
               171 
      1  -0.140057D+01
      2   0.127091D+01
      3   0.205759D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.271404D+02  0.930607D+01 -0.223967D+02  0.113482D+02  0.114939D+02
      2   0.231799D+02 -0.315181D+01  0.479365D+01 -0.562088D+01 -0.172763D+02
      3   0.396056D+01 -0.615427D+01  0.176031D+02 -0.572731D+01  0.578243D+01
      4   0.351589D+01  0.497163D+01 -0.154102D+01  0.461488D+01 -0.197212D+02
      5  -0.238601D+02  0.504455D+01 -0.393780D+01  0.710015D+01 -0.111378D+01
      6   0.233478D+01  0.250001D+01  0.369275D-01  0.155527D+01 -0.109862D+02
                 6             7             8             9            10 
      1  -0.148717D+01 -0.180396D+02 -0.264046D+01  0.622855D+01  0.734632D+01
      2  -0.824502D+01  0.385385D+01 -0.618516D+01 -0.912568D+00 -0.260194D+01
      3   0.973219D+01  0.141858D+02  0.882562D+01 -0.531598D+01 -0.474438D+01
      4  -0.187492D+01 -0.635391D+00 -0.458971D-04  0.111907D+02 -0.115243D+02
      5   0.731941D+01 -0.837515D+00  0.842030D+01  0.717468D+01  0.154528D+02
      6   0.624998D+00  0.165945D+01  0.710398D+00  0.750143D+01  0.577187D+01
                11            12            13            14            15 
      1  -0.114582D+02  0.121015D+02 -0.953854D+01 -0.264087D+01  0.269093D+01
      2   0.102867D+02 -0.763366D+01  0.101085D+02 -0.298352D+01 -0.155134D+01
      3   0.117148D+01 -0.446786D+01 -0.569992D+00  0.562439D+01 -0.113959D+01
      4  -0.280899D+01  0.225055D+01 -0.541425D+01  0.105644D+02  0.405755D+01
      5   0.267310D+01 -0.103179D+02  0.583191D+00  0.674618D+01 -0.118683D+02
      6  -0.689905D+00 -0.801243D+00  0.918706D+00 -0.144984D+01 -0.159594D+01
                16            17            18            19            20 
      1   0.110191D+02  0.109413D+01 -0.113665D+02 -0.996067D+01 -0.408193D+01
      2  -0.702786D+01 -0.219349D+01  0.862157D+01  0.742233D+01  0.530615D+01
      3  -0.399125D+01  0.109936D+01  0.274494D+01  0.253834D+01 -0.122423D+01
      4  -0.574431D+00  0.781683D+00 -0.119541D+02  0.174795D+01 -0.184119D+01
      5  -0.113377D+02 -0.123730D+02  0.173276D+01 -0.528567D+01 -0.637593D+00
      6  -0.226137D+01 -0.261151D+00  0.157548D+01 -0.736804D+01 -0.360251D+01
                21            22            23            24            25 
      1   0.272373D+01  0.226545D+01  0.760190D+01  0.306810D+01  0.112790D+01
      2   0.165998D+01 -0.200048D+00 -0.848865D+01  0.613929D+01  0.116409D+01
      3  -0.438371D+01 -0.206540D+01  0.886751D+00 -0.920739D+01 -0.229199D+01
      4  -0.471373D+00 -0.666975D+01 -0.473877D+00  0.649136D+00  0.358692D+01
      5   0.801500D+00  0.331628D+01 -0.142706D+01  0.708529D+00  0.121460D+01
      6   0.181463D+01  0.885993D+00  0.677985D+01 -0.550392D+01 -0.201372D+00
                26            27            28            29            30 
      1   0.631407D+01  0.686368D+01 -0.239009D+01  0.226317D+01 -0.995745D+00
      2   0.328440D+01  0.104288D+02  0.217288D+01 -0.444206D+01 -0.652482D+01
      3  -0.959847D+01 -0.172925D+02  0.217210D+00  0.217889D+01  0.752056D+01
      4   0.917459D+00 -0.128129D+01  0.258473D+01 -0.304676D+01 -0.675081D+01
      5  -0.130641D+01 -0.478014D+01  0.634734D+01 -0.605301D+01 -0.409930D+01
      6   0.146540D+01 -0.495204D+01 -0.240500D+01  0.276040D+00  0.808619D+00
                31            32            33            34            35 
      1   0.404760D+01  0.399586D+01 -0.543568D+01  0.909082D+01 -0.445727D+01
      2  -0.521262D+01 -0.889280D+01  0.913297D+01 -0.797315D+01 -0.456736D+00
      3   0.116502D+01  0.489694D+01 -0.369729D+01 -0.111767D+01  0.491400D+01
      4  -0.590911D+01 -0.214047D+01 -0.251599D+01 -0.108399D+02  0.613822D+01
      5  -0.147725D+02 -0.158762D+01  0.337832D+01 -0.100440D+02  0.498030D+01
      6  -0.294629D+01 -0.558454D+01 -0.198799D+01 -0.161154D+00 -0.291741D+01
                36            37            38            39            40 
      1  -0.159514D-01  0.604190D+00  0.618313D+00  0.750966D+01 -0.117109D+01
      2   0.810080D+01 -0.130346D+01 -0.153014D+01 -0.210497D+01  0.118028D+01
      3  -0.808485D+01  0.699265D+00  0.911824D+00 -0.540470D+01 -0.918329D-02
      4   0.608103D+01 -0.526571D+01  0.197481D+00  0.101858D+02  0.748528D+01
      5   0.172480D+02  0.108648D+02  0.667284D+01  0.258938D+01  0.904985D+01
      6  -0.300731D+01  0.734704D+01  0.598377D+01 -0.120734D+01  0.589432D+01
                41            42            43            44            45 
      1  -0.136514D+02  0.223499D+01  0.107103D+02  0.472841D+01 -0.454727D+01
      2   0.241493D+02  0.671044D+00 -0.173718D+01  0.326913D+01 -0.768146D+00
      3  -0.104979D+02 -0.290604D+01 -0.897314D+01 -0.799755D+01  0.531542D+01
      4   0.118133D+02  0.837411D+01  0.166490D+02  0.145055D+02 -0.546226D+00
      5   0.879221D+01  0.295636D+01  0.312532D+01  0.283971D+01  0.105992D+02
      6   0.779875D+01  0.665852D+01 -0.137429D+01  0.670116D+01  0.829863D+01
                46            47            48            49            50 
      1  -0.266118D+02  0.203051D+02 -0.800528D+01  0.142553D+02  0.196263D+01
      2   0.645063D+01 -0.137651D+02  0.701774D+01 -0.116911D+02  0.821640D+01
      3   0.201612D+02 -0.654005D+01  0.987545D+00 -0.256427D+01 -0.101790D+02
      4   0.258062D+02 -0.710504D+01  0.639619D+01 -0.268989D+01 -0.128991D+02
      5  -0.512915D+01  0.504030D+00  0.783923D+01  0.167067D+00 -0.369447D+01
      6   0.521619D+01  0.117727D+01 -0.106433D+02  0.133620D+00  0.254758D+01
                51            52            53            54            55 
      1   0.153482D+01 -0.975350D+01  0.303265D+01  0.208655D+02  0.824018D+01
      2   0.425607D+01  0.696266D+01  0.431689D+01 -0.139147D+02 -0.385647D+01
      3  -0.579089D+01  0.279084D+01 -0.734954D+01 -0.695072D+01 -0.438371D+01
      4  -0.837342D+00  0.743157D+01  0.706061D+00  0.358290D+01  0.145644D+02
      5   0.998605D+01  0.732517D+01  0.108729D+02  0.831384D+01 -0.945483D+01
      6  -0.137979D+02 -0.797797D+01 -0.163858D+02 -0.115594D+02  0.115048D+02
                56            57            58            59            60 
      1   0.230962D+00 -0.181853D+01 -0.136614D+01 -0.182425D+02  0.525371D+01
      2   0.331285D+01  0.365142D+01  0.372163D+01  0.281290D+02 -0.101827D+02
      3  -0.354381D+01 -0.183288D+01 -0.235549D+01 -0.988642D+01  0.492898D+01
      4  -0.439453D+01  0.861086D+01  0.250029D+01  0.423486D+01 -0.106929D+01
      5   0.497215D+01 -0.315895D+01  0.148530D+01 -0.123765D+01  0.104782D+01
      6  -0.451512D+01  0.800812D+01 -0.334100D+01 -0.154627D+02  0.318523D+01
                61            62            63            64            65 
      1  -0.280184D+00  0.752339D+01 -0.556685D+01  0.231900D+02 -0.378552D+01
      2   0.375514D+01 -0.109948D+02 -0.865595D+01 -0.163063D+02  0.230681D+01
      3  -0.347495D+01  0.347137D+01  0.142228D+02 -0.688371D+01  0.147872D+01
      4   0.665086D+01  0.333217D+00  0.813629D+01 -0.863887D+01  0.129191D+02
      5  -0.126505D+01  0.339314D+01 -0.333757D+01 -0.166661D+02  0.629837D+01
      6   0.811331D+01  0.600337D+00 -0.133323D+02  0.319051D+01 -0.231460D+01
                66            67            68            69            70 
      1  -0.859856D+01 -0.716459D+01 -0.190341D+01  0.896856D+00 -0.108690D+02
      2   0.107581D+02  0.435138D+01  0.302195D+01 -0.500532D+01  0.101229D+02
      3  -0.215954D+01  0.281322D+01 -0.111853D+01  0.410847D+01  0.746160D+00
      4   0.534720D+01  0.116934D+02 -0.128432D+02 -0.790299D+01  0.603951D+01
      5   0.164463D+02  0.824181D+01 -0.782355D+01 -0.734918D+01  0.211496D+02
      6  -0.290159D+01 -0.358569D+01  0.458223D+01  0.986076D+01 -0.186462D+01
                71            72            73            74            75 
      1  -0.172147D+01 -0.403161D+01  0.460639D+00  0.420211D+00 -0.378802D+00
      2  -0.194512D+01 -0.217369D+02 -0.453716D+01 -0.854523D+00 -0.195942D+01
      3   0.366659D+01  0.257685D+02  0.407652D+01  0.434311D+00  0.233823D+01
      4  -0.125730D+02 -0.947141D+01  0.196852D+00  0.185071D+01  0.459903D+00
      5  -0.753612D+01 -0.293418D+02  0.217598D+01  0.144892D+01  0.642693D+01
      6   0.903385D+01  0.678609D+01  0.166363D+01  0.369944D+00  0.237587D+00
                76            77            78            79            80 
      1   0.304233D+00 -0.418459D+01 -0.423490D+01 -0.114083D+01 -0.271277D+01
      2  -0.803709D+00 -0.131677D+01 -0.363384D+01 -0.174601D+01 -0.427064D+01
      3   0.499475D+00  0.550136D+01  0.786874D+01  0.288684D+01  0.698341D+01
      4   0.207563D+01  0.502610D+00  0.551378D+00  0.235801D+00  0.917689D+00
      5   0.657049D+00  0.775068D+00  0.177838D+01  0.522009D+01  0.112730D+01
      6   0.502667D+00  0.373736D+01  0.714192D+01 -0.117418D+00  0.585120D+01
                81            82            83            84            85 
      1  -0.172293D+02  0.172383D+02  0.625672D+01 -0.979798D+01  0.588164D+01
      2  -0.165494D+02 -0.117159D+02 -0.438610D+01  0.772670D+01 -0.340437D+01
      3   0.337787D+02 -0.552243D+01 -0.187062D+01  0.207129D+01 -0.247727D+01
      4   0.396740D+00  0.956042D+01  0.836210D+01 -0.482773D+01  0.927624D+01
      5   0.577269D+01 -0.163666D+02 -0.516475D+01  0.147876D+02 -0.528628D+01
      6   0.352540D+01 -0.397335D+01 -0.266507D+01  0.314770D+01 -0.371796D+01
                86            87            88            89            90 
      1   0.311345D+01 -0.198251D+01 -0.803025D+01 -0.141917D+01  0.484134D+01
      2  -0.597121D+00  0.141376D+01  0.846632D+01  0.314806D+01 -0.114076D+02
      3  -0.251633D+01  0.568749D+00 -0.436069D+00 -0.172889D+01  0.656628D+01
      4   0.749581D+01 -0.664818D+01 -0.421118D+01 -0.590092D+01  0.737917D+01
      5  -0.716537D+01  0.788864D+01  0.157580D+02  0.773574D+01 -0.193676D+02
      6  -0.474203D+01  0.599896D+01  0.347710D+01  0.529769D+01 -0.620812D+01
                91            92            93            94            95 
      1   0.180418D+02  0.928341D+01 -0.578393D+01  0.381517D+01  0.217385D+01
      2  -0.495302D+01  0.216053D-01  0.172080D+01  0.227939D+01  0.565850D+01
      3  -0.130887D+02 -0.930501D+01  0.406313D+01 -0.609456D+01 -0.783235D+01
      4   0.198901D+02  0.162543D+02 -0.624213D+01  0.119674D+02  0.140856D+02
      5  -0.702667D+01 -0.436456D+01  0.595171D+01 -0.251517D+01 -0.292143D+01
      6  -0.478814D+01 -0.319343D+01  0.339114D+01 -0.257190D+01 -0.345450D+01
                96            97            98            99           100 
      1  -0.617623D+00 -0.861318D+01 -0.415842D+01  0.319703D+01  0.284731D+01
      2  -0.138386D+01  0.220541D+01 -0.149102D+01 -0.811970D+00  0.178888D+00
      3   0.200148D+01  0.640776D+01  0.564944D+01 -0.238506D+01 -0.302620D+01
      4  -0.421863D+01 -0.131403D+02 -0.123072D+02  0.837564D+01 -0.194478D+02
      5   0.296177D+01  0.844411D+01  0.634205D+01 -0.690863D+01  0.139894D+02
      6   0.334308D+01  0.634606D+01  0.640761D+01 -0.607068D+01 -0.139441D+02
               101           102           103           104           105 
      1   0.217663D+01 -0.466699D+00  0.137364D+01 -0.319891D+01  0.179568D+01
      2  -0.566048D+01 -0.107548D+01 -0.426106D+01  0.637957D+01 -0.263051D+01
      3   0.348385D+01  0.154218D+01  0.288742D+01 -0.318066D+01  0.834825D+00
      4   0.152540D+02 -0.115512D+02  0.108703D+02 -0.761833D+01  0.400727D+01
      5  -0.844156D+01  0.107169D+02 -0.434320D+01  0.431695D+01 -0.226680D+01
      6   0.101128D+02 -0.106381D+02  0.589449D+01 -0.670495D+01  0.608712D+01
               106           107           108           109           110 
      1  -0.915511D+00  0.316495D+01 -0.314435D+01 -0.130293D+01 -0.615238D-01
      2  -0.184578D+01 -0.194193D+01 -0.152514D+01  0.215999D+01 -0.279482D+01
      3   0.276129D+01 -0.122302D+01  0.466949D+01 -0.857057D+00  0.285634D+01
      4  -0.112472D+02  0.527380D+01 -0.790194D+01 -0.153251D+01  0.439067D+01
      5   0.102361D+02 -0.498696D+01  0.820830D+01 -0.309964D+00 -0.608701D+00
      6  -0.949709D+01  0.875896D+01 -0.101111D+02 -0.204959D+00 -0.192180D+01
               111           112           113           114           115 
      1   0.152208D+01 -0.528205D+00 -0.594668D+01 -0.179672D+01  0.399132D+00
      2  -0.211718D+01 -0.180042D+01  0.125693D+02  0.723391D+01 -0.230596D+01
      3   0.595101D+00  0.232862D+01 -0.662258D+01 -0.543718D+01  0.190683D+01
      4   0.325178D+00  0.444572D+01 -0.324994D+01 -0.247849D+01  0.318160D+01
      5   0.202298D+01 -0.586143D+00 -0.111525D+01 -0.113483D+01  0.102602D+01
      6  -0.244438D+00 -0.184210D+01  0.470466D+01  0.862740D+01 -0.439558D+00
               116           117           118           119           120 
      1  -0.624274D+01 -0.317154D+01 -0.405621D+00 -0.601954D+01 -0.443761D+01
      2   0.135647D+02  0.893144D+01  0.332939D+00  0.492475D+01  0.143041D+01
      3  -0.732199D+01 -0.575990D+01  0.726816D-01  0.109479D+01  0.300720D+01
      4  -0.417827D+01 -0.142705D+01 -0.981664D+00  0.214509D+01  0.226041D+01
      5  -0.798778D+00 -0.217041D+01 -0.912651D+00  0.516357D+00  0.951413D+00
      6   0.757072D+01  0.139006D+02  0.349831D+01  0.266893D+01  0.509748D+01
               121           122           123           124           125 
      1  -0.315974D+01 -0.109583D+02 -0.835856D+01 -0.390430D+01 -0.108347D+02
      2   0.248078D+01  0.110902D+02  0.727244D+01  0.101854D+01  0.871530D+01
      3   0.678965D+00 -0.131975D+00  0.108611D+01  0.288576D+01  0.211941D+01
      4   0.305125D+01 -0.429925D+01 -0.449112D+01  0.460083D+01 -0.760604D+01
      5   0.957974D+00 -0.547271D+01 -0.657600D+01  0.295155D+01 -0.951502D+01
      6   0.957947D+00  0.124019D+02  0.150313D+02  0.205072D+01  0.182153D+02
               126           127           128           129           130 
      1  -0.188161D+02  0.495416D+02 -0.125186D+02  0.418895D+01 -0.599007D+01
      2   0.190916D+01 -0.186629D+02 -0.928699D+00 -0.197456D+01 -0.247627D+01
      3   0.169069D+02 -0.308787D+02  0.134473D+02 -0.221440D+01  0.846634D+01
      4  -0.561445D+01 -0.388838D+02  0.222487D+02 -0.287659D+01  0.159719D+02
      5  -0.175705D+02  0.377187D+00  0.580436D+00  0.765903D+01 -0.263055D-01
      6   0.269826D+02 -0.191105D+01 -0.298950D+00 -0.407737D+01  0.265855D+00
               131           132           133           134           135 
      1   0.581840D+01 -0.235222D+00  0.589690D+01 -0.161213D+01  0.320287D+01
      2   0.195706D+01 -0.103158D+01 -0.215292D+01 -0.131238D+01 -0.124839D+01
      3  -0.777545D+01  0.126680D+01 -0.374398D+01  0.292452D+01 -0.195449D+01
      4  -0.107213D+02  0.166721D+01 -0.572657D+01  0.373416D+01 -0.525545D+01
      5   0.692304D+00 -0.204319D+01  0.771278D+01 -0.407050D+01  0.153573D+01
      6  -0.670859D+00  0.345417D+01 -0.359971D+01  0.460515D+01 -0.489903D+00
               136           137           138           139           140 
      1  -0.252681D+01 -0.896168D+01  0.515088D+01 -0.642903D+01 -0.123117D+02
      2   0.442704D+01  0.104209D+02 -0.409880D+01  0.686424D+01  0.174756D+02
      3  -0.190024D+01 -0.145919D+01 -0.105208D+01 -0.435215D+00 -0.516391D+01
      4   0.395447D+01  0.160986D+01 -0.361730D+01  0.370124D+01 -0.177019D+01
      5   0.139806D+01  0.655388D+00 -0.220534D+01  0.776121D+00  0.310716D+01
      6  -0.504615D+01 -0.363486D+01  0.686516D+01 -0.298048D+01 -0.831681D+01
               141           142           143           144           145 
      1   0.599589D+01  0.581802D+01  0.824612D+01 -0.115833D+02  0.187980D+01
      2  -0.852334D+01 -0.399912D+01 -0.117355D+02  0.772494D+01  0.343479D+00
      3   0.252746D+01 -0.181890D+01  0.348941D+01  0.385836D+01 -0.222328D+01
      4   0.395566D+00 -0.507004D+01  0.322371D+01  0.153858D+00  0.307957D+01
      5  -0.395795D+01 -0.103951D+01 -0.482362D+01  0.516228D+01  0.259124D+01
      6   0.963079D+01  0.518195D+01  0.112760D+02 -0.116797D+02  0.127172D+01
               146           147           148           149           150 
      1   0.334270D+01  0.301187D+01  0.355806D+01 -0.161663D+02 -0.348782D+01
      2  -0.172896D+01 -0.542294D+00 -0.147215D+01  0.289658D+02  0.139639D+01
      3  -0.161374D+01 -0.246957D+01 -0.208591D+01 -0.127995D+02  0.209143D+01
      4   0.492765D+01  0.651032D+00  0.721942D+01  0.285827D+02  0.610080D+01
      5   0.148792D+01  0.132921D+01  0.365136D+01  0.460109D+01  0.527832D+01
      6  -0.440459D+00 -0.248905D+00  0.168096D+01  0.197100D+02  0.949151D+01
               151           152           153           154           155 
      1   0.708268D+00 -0.312702D+01 -0.444657D+01 -0.366494D+01 -0.284142D+01
      2   0.261115D+00  0.107765D+01  0.287009D+01 -0.321367D+01 -0.263451D+00
      3  -0.969384D+00  0.204937D+01  0.157647D+01  0.687862D+01  0.310487D+01
      4   0.887542D-01  0.177195D+01  0.230951D+01 -0.215340D+01 -0.220386D+01
      5   0.124007D+01  0.275344D+01  0.191661D+00 -0.232865D+01 -0.197494D+01
      6  -0.214498D+00  0.785430D+01  0.283864D+01 -0.170752D+01 -0.366859D+01
               156           157           158           159           160 
      1   0.107581D+02 -0.369330D+01 -0.566645D+01  0.463021D+01  0.888867D+01
      2   0.304071D+01  0.805054D+00  0.187238D+01  0.378447D+01  0.118269D+01
      3  -0.137988D+02  0.288825D+01  0.379407D+01 -0.841468D+01 -0.100714D+02
      4   0.121961D+01 -0.106055D+01 -0.613813D+00  0.223146D+01  0.200416D+01
      5   0.378260D+00 -0.273861D+01  0.302236D+00 -0.354961D+01  0.384150D+01
      6   0.303548D+00 -0.237065D+01 -0.265176D+01  0.488571D+01  0.699255D+00
               161           162           163           164           165 
      1   0.355723D+01 -0.167512D+02  0.520946D+02 -0.412856D+01  0.140805D+02
      2   0.263331D+01 -0.107298D+02 -0.332580D+02  0.275318D+01 -0.129520D+02
      3  -0.619054D+01  0.274810D+02 -0.188366D+02  0.137538D+01 -0.112850D+01
      4   0.287245D+01 -0.355489D+01  0.378729D+01  0.784288D+01  0.203217D+01
      5  -0.781377D+00  0.519097D+01  0.329191D+02 -0.174813D+01  0.192720D+02
      6   0.497990D+01 -0.182496D+01 -0.450511D+00  0.385658D+01  0.105137D+01
               166           167           168           169           170 
      1  -0.798183D+01  0.432864D+01 -0.170553D+01  0.870359D+01  0.246640D-01
      2   0.549777D+01 -0.116487D+01  0.336824D+01 -0.938836D+01  0.127676D+01
      3   0.248406D+01 -0.316377D+01 -0.166271D+01  0.684769D+00 -0.130142D+01
      4   0.748170D+01 -0.668813D+00  0.277800D+01  0.975983D+00  0.138959D+01
      5  -0.571796D+01  0.422570D+01 -0.455772D+01  0.158900D+02 -0.201324D+01
      6   0.344176D+01 -0.377339D+00  0.231741D+01  0.441032D+00  0.181017D+01
               171 
      1   0.650281D+01
      2  -0.929493D+01
      3   0.279213D+01
      4  -0.598952D+00
      5   0.111221D+02
      6  -0.312480D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:54:44 2021, MaxMem=  5368709120 cpu:            6535.3 elap:             819.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52239 -19.46880 -14.60529 -10.58661 -10.48606
 Alpha  occ. eigenvalues --  -10.45084 -10.42977 -10.42639  -1.25244  -1.15092
 Alpha  occ. eigenvalues --   -1.03380  -0.93357  -0.84303  -0.81566  -0.75369
 Alpha  occ. eigenvalues --   -0.68780  -0.65171  -0.62102  -0.60908  -0.60101
 Alpha  occ. eigenvalues --   -0.56106  -0.55907  -0.53648  -0.51960  -0.50263
 Alpha  occ. eigenvalues --   -0.49205  -0.45613  -0.44703  -0.44397  -0.43774
 Alpha  occ. eigenvalues --   -0.40883  -0.36437
 Alpha virt. eigenvalues --    0.03251   0.06198   0.06435   0.06777   0.07621
 Alpha virt. eigenvalues --    0.09979   0.10599   0.11047   0.11803   0.11921
 Alpha virt. eigenvalues --    0.14219   0.15698   0.15864   0.17435   0.17544
 Alpha virt. eigenvalues --    0.18283   0.19225   0.20932   0.22080   0.22329
 Alpha virt. eigenvalues --    0.22681   0.23606   0.24084   0.25180   0.26041
 Alpha virt. eigenvalues --    0.26390   0.28133   0.29709   0.30252   0.30484
 Alpha virt. eigenvalues --    0.31677   0.32179   0.33085   0.34159   0.34727
 Alpha virt. eigenvalues --    0.35137   0.35510   0.36137   0.36276   0.37278
 Alpha virt. eigenvalues --    0.37596   0.37760   0.38636   0.39403   0.40287
 Alpha virt. eigenvalues --    0.40786   0.40977   0.41691   0.42275   0.42731
 Alpha virt. eigenvalues --    0.43418   0.44142   0.44597   0.45131   0.46489
 Alpha virt. eigenvalues --    0.46949   0.47599   0.47905   0.48441   0.48968
 Alpha virt. eigenvalues --    0.50258   0.50651   0.51993   0.53040   0.53071
 Alpha virt. eigenvalues --    0.53655   0.53846   0.55092   0.55949   0.56274
 Alpha virt. eigenvalues --    0.57017   0.57942   0.58842   0.59123   0.59487
 Alpha virt. eigenvalues --    0.60888   0.61089   0.62169   0.62515   0.63825
 Alpha virt. eigenvalues --    0.64920   0.65018   0.65649   0.66568   0.67490
 Alpha virt. eigenvalues --    0.69436   0.70456   0.70754   0.71916   0.72765
 Alpha virt. eigenvalues --    0.73188   0.74347   0.75653   0.76469   0.77978
 Alpha virt. eigenvalues --    0.78730   0.80478   0.80771   0.81598   0.83287
 Alpha virt. eigenvalues --    0.84800   0.86075   0.87199   0.88804   0.91280
 Alpha virt. eigenvalues --    0.94740   0.97649   0.99882   1.00560   1.03059
 Alpha virt. eigenvalues --    1.05644   1.07788   1.08921   1.10494   1.10683
 Alpha virt. eigenvalues --    1.11309   1.12100   1.13522   1.14790   1.17001
 Alpha virt. eigenvalues --    1.17508   1.18710   1.21375   1.24467   1.24995
 Alpha virt. eigenvalues --    1.28558   1.29350   1.30599   1.33708   1.35145
 Alpha virt. eigenvalues --    1.38673   1.41905   1.42797   1.45580   1.47751
 Alpha virt. eigenvalues --    1.49789   1.51366   1.56831   1.57753   1.60948
 Alpha virt. eigenvalues --    1.63501   1.65897   1.66656   1.69970   1.73201
 Alpha virt. eigenvalues --    1.73729   1.77070   1.78153   1.82148   1.84292
 Alpha virt. eigenvalues --    1.86076   1.86543   1.87775   1.89914   1.90607
 Alpha virt. eigenvalues --    1.91209   1.95646   1.97622   1.98756   2.01877
 Alpha virt. eigenvalues --    2.02483   2.03868   2.05355   2.06219   2.07632
 Alpha virt. eigenvalues --    2.10446   2.11279   2.12965   2.15010   2.16787
 Alpha virt. eigenvalues --    2.17912   2.18782   2.19414   2.21465   2.23329
 Alpha virt. eigenvalues --    2.24033   2.26221   2.29135   2.31455   2.34337
 Alpha virt. eigenvalues --    2.35666   2.36349   2.38492   2.43157   2.43804
 Alpha virt. eigenvalues --    2.46301   2.48989   2.50592   2.52614   2.55733
 Alpha virt. eigenvalues --    2.60230   2.64994   2.66024   2.68204   2.73299
 Alpha virt. eigenvalues --    2.74214   2.77048   2.80336   2.83234   2.94972
 Alpha virt. eigenvalues --    2.95770   2.96991   3.01084   3.05975   3.06558
 Alpha virt. eigenvalues --    3.08465   3.09704   3.13215   3.14615   3.20600
 Alpha virt. eigenvalues --    3.22066   3.26515   3.27066   3.30191   3.32773
 Alpha virt. eigenvalues --    3.33537   3.46049   3.50640   3.69289   3.70137
 Alpha virt. eigenvalues --    3.88643   4.00188
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.204496   0.380778   0.050574  -0.075751   0.002905  -0.027877
     2  C    0.380778   5.586540   0.159456   0.116207  -0.049468   0.360579
     3  C    0.050574   0.159456   5.751081  -0.059741  -0.130267  -0.014433
     4  C   -0.075751   0.116207  -0.059741   5.426802   0.097608  -0.067709
     5  O    0.002905  -0.049468  -0.130267   0.097608   8.199788  -0.024648
     6  C   -0.027877   0.360579  -0.014433  -0.067709  -0.024648   4.329712
     7  N   -0.009345  -0.149507  -0.140597  -0.029418   0.027809   0.034882
     8  O   -0.034773  -0.024662  -0.120072   0.534005  -0.006828   0.019733
     9  H    0.015072   0.045278   0.360342  -0.016311  -0.054019  -0.029466
    10  H   -0.021574   0.254121  -0.007694   0.001569   0.005916  -0.102305
    11  H    0.002151  -0.003645   0.015821   0.106646   0.165202  -0.004336
    12  H    0.001495   0.043887   0.156254   0.019686  -0.004002  -0.002382
    13  H    0.006893  -0.049463   0.274203  -0.087149  -0.007263  -0.001216
    14  H    0.009164   0.037064  -0.062937  -0.032498  -0.011234   0.388027
    15  H   -0.012524   0.127198   0.035983   0.005243  -0.002636   0.172575
    16  H   -0.033630   0.180933  -0.076878   0.064140  -0.001223   0.120076
    17  H    0.360809   0.052289  -0.023236  -0.038525   0.002982   0.000824
    18  H    0.169852   0.149792  -0.042043   0.055849  -0.013517  -0.025196
    19  H    0.179736   0.127320   0.026574  -0.007294   0.000663  -0.012935
               7          8          9         10         11         12
     1  C   -0.009345  -0.034773   0.015072  -0.021574   0.002151   0.001495
     2  C   -0.149507  -0.024662   0.045278   0.254121  -0.003645   0.043887
     3  C   -0.140597  -0.120072   0.360342  -0.007694   0.015821   0.156254
     4  C   -0.029418   0.534005  -0.016311   0.001569   0.106646   0.019686
     5  O    0.027809  -0.006828  -0.054019   0.005916   0.165202  -0.004002
     6  C    0.034882   0.019733  -0.029466  -0.102305  -0.004336  -0.002382
     7  N    7.946619   0.036481  -0.051934  -0.161465  -0.001697  -0.301358
     8  O    0.036481   7.851107  -0.018100   0.002519  -0.030609  -0.022804
     9  H   -0.051934  -0.018100   0.799041  -0.000675   0.002122  -0.017216
    10  H   -0.161465   0.002519  -0.000675   1.236386   0.000535   0.017421
    11  H   -0.001697  -0.030609   0.002122   0.000535   0.497906   0.000081
    12  H   -0.301358  -0.022804  -0.017216   0.017421   0.000081   0.960026
    13  H   -0.232634   0.001861   0.030971   0.020147   0.001515   0.053495
    14  H    0.004065   0.005408   0.019509  -0.035299  -0.000309  -0.000597
    15  H    0.000499  -0.003647  -0.000499   0.012610   0.000639  -0.000205
    16  H   -0.000903  -0.011096  -0.008086   0.009004  -0.000322   0.000102
    17  H   -0.074813  -0.027981   0.003142  -0.005742   0.000282   0.009050
    18  H   -0.016776  -0.011105   0.001211   0.002555  -0.001533   0.001538
    19  H    0.016133   0.007578  -0.002003   0.003689  -0.000063  -0.000448
              13         14         15         16         17         18
     1  C    0.006893   0.009164  -0.012524  -0.033630   0.360809   0.169852
     2  C   -0.049463   0.037064   0.127198   0.180933   0.052289   0.149792
     3  C    0.274203  -0.062937   0.035983  -0.076878  -0.023236  -0.042043
     4  C   -0.087149  -0.032498   0.005243   0.064140  -0.038525   0.055849
     5  O   -0.007263  -0.011234  -0.002636  -0.001223   0.002982  -0.013517
     6  C   -0.001216   0.388027   0.172575   0.120076   0.000824  -0.025196
     7  N   -0.232634   0.004065   0.000499  -0.000903  -0.074813  -0.016776
     8  O    0.001861   0.005408  -0.003647  -0.011096  -0.027981  -0.011105
     9  H    0.030971   0.019509  -0.000499  -0.008086   0.003142   0.001211
    10  H    0.020147  -0.035299   0.012610   0.009004  -0.005742   0.002555
    11  H    0.001515  -0.000309   0.000639  -0.000322   0.000282  -0.001533
    12  H    0.053495  -0.000597  -0.000205   0.000102   0.009050   0.001538
    13  H    0.911314   0.000362   0.000359  -0.000317   0.022836  -0.004412
    14  H    0.000362   0.878464  -0.154720  -0.063158  -0.005306  -0.001873
    15  H    0.000359  -0.154720   0.887028  -0.028121   0.008122  -0.023358
    16  H   -0.000317  -0.063158  -0.028121   0.803925   0.000287   0.033540
    17  H    0.022836  -0.005306   0.008122   0.000287   1.019592  -0.016938
    18  H   -0.004412  -0.001873  -0.023358   0.033540  -0.016938   0.799406
    19  H   -0.001120   0.009365   0.003815  -0.036026  -0.204681  -0.053211
              19
     1  C    0.179736
     2  C    0.127320
     3  C    0.026574
     4  C   -0.007294
     5  O    0.000663
     6  C   -0.012935
     7  N    0.016133
     8  O    0.007578
     9  H   -0.002003
    10  H    0.003689
    11  H   -0.000063
    12  H   -0.000448
    13  H   -0.001120
    14  H    0.009365
    15  H    0.003815
    16  H   -0.036026
    17  H   -0.204681
    18  H   -0.053211
    19  H    0.943520
 Mulliken charges:
               1
     1  C    0.831549
     2  C   -1.344697
     3  C   -0.152389
     4  C   -0.013359
     5  O   -0.197768
     6  C    0.886093
     7  N    0.103960
     8  O   -0.147014
     9  H   -0.078380
    10  H   -0.231720
    11  H    0.249615
    12  H    0.085978
    13  H    0.059618
    14  H    0.016504
    15  H   -0.028360
    16  H    0.047753
    17  H   -0.082991
    18  H   -0.003781
    19  H   -0.000610
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.744167
     2  C   -1.576418
     3  C   -0.230769
     4  C   -0.013359
     5  O    0.051847
     6  C    0.921990
     7  N    0.249556
     8  O   -0.147014
 Electronic spatial extent (au):  <R**2>=            997.0115
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.2050    Y=             -1.2996    Z=             -0.6801  Tot=              1.4811
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.6183   YY=            -49.7406   ZZ=            -52.0554
   XY=              0.8320   XZ=              3.0991   YZ=             -1.4444
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1865   YY=              0.0641   ZZ=             -2.2506
   XY=              0.8320   XZ=              3.0991   YZ=             -1.4444
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.8406  YYY=             -3.3393  ZZZ=             -5.1182  XYY=            -17.2431
  XXY=            -10.3465  XXZ=             -2.7491  XZZ=             -2.6085  YZZ=             -3.2476
  YYZ=              8.8778  XYZ=             10.6363
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -575.2016 YYYY=           -429.2679 ZZZZ=           -248.7409 XXXY=             31.6000
 XXXZ=              1.3763 YYYX=              4.0496 YYYZ=              4.2743 ZZZX=              5.1145
 ZZZY=             -1.4058 XXYY=           -153.6518 XXZZ=           -150.2808 YYZZ=           -117.0876
 XXYZ=            -16.9831 YYXZ=              0.2273 ZZXY=             -2.1556
 N-N= 4.110480391764D+02 E-N=-1.758186603820D+03  KE= 3.973357063648D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:54:44 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.09649685D-01-4.57291820D-01-2.67849514D-01
 Polarizability= 7.62567824D+01 3.46320789D-01 7.79479083D+01
                -8.36961919D-01 1.91988343D+00 6.93000600D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6065    0.6122        0.1217    0.1299
 2     -0.6065   -0.6122       -0.9319   -0.9304        0.4777    0.4813
 3     -0.1217   -0.1299        3.5850    3.5790        0.9363    0.9304
 4      0.9319    0.9304       -0.0000    0.0000       -0.1246   -0.1299
 5     -4.0628   -4.0603        0.1246    0.1299        0.6107    0.6122
 6     -0.9363   -0.9304       -0.6107   -0.6122       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.8367   -1.8367        0.3897    0.3897
 2      2.7912    2.7912        0.0000    0.0000        0.3897    0.3897
 3      2.7912    2.7912       -1.8367   -1.8367       -0.0000    0.0000
 4     -1.8367   -1.8367       -2.7912   -2.7912        1.4439    1.4439
 5     -0.3897   -0.3897       10.7370   10.7370        2.7912    2.7912
 6    -12.1809  -12.1809        0.3897    0.3897        1.8367    1.8367
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0251    0.0000       -2.2438   -2.4489       -0.9150   -0.5197
 2      2.2060    2.4489        4.2116    3.7216       -1.9159   -1.9253
 3      0.9994    0.5197      -14.3620  -14.3159       -3.9454   -3.7216
 4     -3.8131   -3.7216        0.3829    0.0000        0.6202    0.5197
 5     16.2063   16.2412       -0.5581   -0.5197       -2.7119   -2.4489
 6      3.5941    3.7216        3.0616    2.4489       -0.2264    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1652    0.0000        9.9675    9.9507      -11.7014  -11.3662
 2     -9.6649   -9.9507       -1.8335   -1.6415        0.5719    1.3818
 3     11.3688   11.3662       10.8510    9.9242        2.2562    1.6415
 4      1.8878    1.6415       -0.0694    0.0000       11.6702   11.3662
 5    -12.0944  -11.3060      -11.2586  -11.3662        9.6241    9.9507
 6     -1.6782   -1.6415       -9.9405   -9.9507        0.0627    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4051   -0.3128       23.6894   23.4984       33.7543   34.3944
 2     -3.1765   -3.4702       38.5347   38.4161       33.7594   34.3944
 3     -2.9363   -3.4702       23.4144   23.4984       48.9145   49.1928
 4    -14.2010  -14.9178        3.5953    3.1574        8.2952    8.8879
 5     14.8078   14.7984       12.8513   11.6522       -3.2505   -3.1574
 6    -21.6432  -20.5401      -14.0353  -14.7984       14.3888   14.9178
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7425   -2.9908    0.0009    0.0009    0.0011    2.7338
 Low frequencies ---   38.9583   92.1801  177.1261
 Diagonal vibrational polarizability:
       23.9802770      20.7247586      30.4781156
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.9564                92.1772               177.1253
 Red. masses --      4.7894                 3.4434                 3.8491
 Frc consts  --      0.0043                 0.0172                 0.0711
 IR Inten    --      1.0385                 0.6045                 0.0629
 RamAct Fr= 1--      0.7735                 0.4909                 0.7321
  Dep-P Fr= 1--      0.7500                 0.7500                 0.5790
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7334
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0023
 Beta2  Fr= 1--      0.1105                 0.0701                 0.0895
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0006
 Gamma2 Fr= 1--     -0.0093                 0.0237                 0.0484
 Delta2 Fr= 1--      0.0416                 0.0073                 0.0592
 Raman1 Fr= 1--       3.094                  1.964                  2.928
 ROA1   Fr= 1--       0.435                  2.512                  6.538
 CID1   Fr= 1--       0.141                  1.279                  2.233
 Raman2 Fr= 1--       1.326                  0.841                  1.074
 ROA2   Fr= 1--      -0.558                  0.511                  0.688
 CID2   Fr= 1--      -0.420                  0.607                  0.641
 Raman3 Fr= 1--       2.652                  1.683                  2.148
 ROA3   Fr= 1--       0.435                  2.512                  6.538
 CID3   Fr= 1--       0.164                  1.492                  3.044
 RC180  Fr= 1--       0.714                  0.714                  0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.18   0.09    -0.14  -0.07   0.13    -0.20  -0.04   0.04
     2   6    -0.01  -0.01  -0.00     0.01   0.04   0.05    -0.08  -0.00  -0.00
     3   6    -0.01   0.01   0.00     0.01  -0.05  -0.03    -0.02   0.09  -0.09
     4   6    -0.02   0.05   0.02     0.02   0.01   0.02     0.08   0.02  -0.03
     5   8     0.18  -0.08   0.23    -0.16   0.08  -0.02     0.21  -0.04   0.03
     6   6     0.08   0.02  -0.22     0.13   0.06  -0.09    -0.22  -0.03   0.03
     7   7     0.02   0.01  -0.02    -0.04  -0.07  -0.17     0.01   0.09  -0.07
     8   8    -0.18   0.19  -0.13     0.18  -0.00   0.11     0.19  -0.05   0.06
     9   1    -0.02  -0.01   0.01     0.04  -0.15   0.01    -0.02   0.10  -0.10
    10   1    -0.01   0.14   0.09     0.02   0.16   0.14     0.03  -0.06   0.06
    11   1     0.15  -0.03   0.23    -0.13   0.12   0.03     0.36  -0.14   0.13
    12   1     0.03   0.02  -0.02    -0.05  -0.14  -0.19     0.02   0.12  -0.07
    13   1     0.02   0.02  -0.02    -0.03   0.02  -0.21     0.03   0.08  -0.07
    14   1     0.15   0.15  -0.29     0.34   0.17  -0.19    -0.32  -0.04   0.07
    15   1     0.09   0.05  -0.20     0.10   0.11   0.09    -0.23  -0.12  -0.02
    16   1     0.08  -0.13  -0.33     0.02  -0.07  -0.26    -0.22   0.06   0.09
    17   1    -0.18  -0.19   0.26    -0.34  -0.09   0.27    -0.03  -0.03   0.02
    18   1    -0.07  -0.35   0.01    -0.09  -0.28   0.06    -0.38   0.07  -0.06
    19   1    -0.07  -0.14   0.08    -0.11   0.08   0.13    -0.28  -0.20   0.20
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.2222               244.6393               247.0789
 Red. masses --      1.1300                 1.9199                 1.0562
 Frc consts  --      0.0326                 0.0677                 0.0380
 IR Inten    --     25.8773                 6.3840                 5.1605
 RamAct Fr= 1--      0.1002                 0.1090                 0.0386
  Dep-P Fr= 1--      0.7498                 0.2328                 0.4428
  Dep-U Fr= 1--      0.8570                 0.3776                 0.6138
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0002
 Beta2  Fr= 1--      0.0143                 0.0069                 0.0039
 AlphaG Fr= 1--      0.0000                 0.0048                -0.0026
 Gamma2 Fr= 1--     -0.0682                 0.0469                 0.0264
 Delta2 Fr= 1--      0.0378                -0.0003                 0.0306
 Raman1 Fr= 1--       0.401                  0.436                  0.154
 ROA1   Fr= 1--      -5.342                  4.494                  3.509
 CID1   Fr= 1--     -13.326                 10.303                 22.751
 Raman2 Fr= 1--       0.172                  0.082                  0.047
 ROA2   Fr= 1--      -1.940                  1.128                  0.388
 CID2   Fr= 1--     -11.293                 13.699                  8.200
 Raman3 Fr= 1--       0.344                  0.165                  0.095
 ROA3   Fr= 1--      -5.342                  4.494                  3.509
 CID3   Fr= 1--     -15.550                 27.285                 37.069
 RC180  Fr= 1--       0.714                 -0.245                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.02    -0.12   0.05  -0.05     0.00   0.02  -0.03
     2   6     0.00   0.02   0.00     0.00  -0.03  -0.04    -0.01  -0.00  -0.01
     3   6    -0.00  -0.01   0.01     0.00  -0.03  -0.04    -0.01   0.01  -0.01
     4   6    -0.01  -0.00   0.02     0.01  -0.02  -0.03     0.00  -0.00   0.01
     5   8    -0.01   0.00  -0.01    -0.06  -0.02   0.05     0.02  -0.01   0.01
     6   6     0.03   0.03  -0.02     0.09  -0.02  -0.02    -0.03  -0.01   0.01
     7   7     0.02  -0.02  -0.06     0.02  -0.01   0.15     0.02   0.01   0.00
     8   8    -0.03  -0.02   0.02     0.07   0.05  -0.04    -0.01  -0.01   0.01
     9   1    -0.01  -0.04   0.02    -0.02   0.06  -0.08    -0.03   0.01  -0.01
    10   1    -0.00   0.03   0.01     0.01  -0.02  -0.02     0.00  -0.03  -0.02
    11   1    -0.03  -0.00  -0.02    -0.06   0.06   0.09     0.02  -0.02   0.00
    12   1    -0.27  -0.02   0.39     0.18   0.07  -0.05    -0.11   0.03   0.22
    13   1     0.56   0.08  -0.03    -0.27  -0.18   0.19     0.27   0.03   0.03
    14   1    -0.06   0.02   0.01     0.25  -0.02  -0.06     0.46   0.08  -0.15
    15   1     0.06   0.05  -0.13     0.07   0.04   0.12    -0.14  -0.05   0.53
    16   1     0.12   0.01   0.04     0.02  -0.07  -0.11    -0.43  -0.05  -0.34
    17   1     0.35   0.03  -0.05     0.21   0.08  -0.26    -0.05   0.02  -0.02
    18   1    -0.24   0.26  -0.05    -0.42   0.38  -0.13     0.06  -0.01   0.00
    19   1    -0.12  -0.31   0.17    -0.25  -0.22   0.23     0.03   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    273.6378               296.6059               355.0496
 Red. masses --      1.4241                 3.1899                 2.6072
 Frc consts  --      0.0628                 0.1653                 0.1936
 IR Inten    --      7.2875                13.4854                 2.2198
 RamAct Fr= 1--      0.2149                 0.4515                 0.9441
  Dep-P Fr= 1--      0.0971                 0.3216                 0.7228
  Dep-U Fr= 1--      0.1769                 0.4867                 0.8391
 Alpha2 Fr= 1--      0.0038                 0.0043                 0.0004
 Beta2  Fr= 1--      0.0063                 0.0366                 0.1320
 AlphaG Fr= 1--     -0.0069                -0.0027                -0.0020
 Gamma2 Fr= 1--     -0.0109                -0.0959                -0.1168
 Delta2 Fr= 1--     -0.0342                 0.0408                 0.1327
 Raman1 Fr= 1--       0.860                  1.806                  3.777
 ROA1   Fr= 1--      -2.142                 -7.899                 -6.967
 CID1   Fr= 1--      -2.492                 -4.374                 -1.845
 Raman2 Fr= 1--       0.076                  0.439                  1.584
 ROA2   Fr= 1--       0.012                 -2.627                 -3.864
 CID2   Fr= 1--       0.161                 -5.977                 -2.439
 Raman3 Fr= 1--       0.152                  0.879                  3.169
 ROA3   Fr= 1--      -2.142                 -7.899                 -6.967
 CID3   Fr= 1--     -14.085                 -8.987                 -2.198
 RC180  Fr= 1--      -0.646                 -0.027                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.01   0.04    -0.08   0.06  -0.07    -0.01   0.17   0.06
     2   6     0.03   0.02   0.05    -0.05  -0.05  -0.02     0.04   0.04   0.09
     3   6     0.03   0.01   0.04    -0.05   0.02   0.05     0.07  -0.04   0.03
     4   6     0.01   0.00   0.02    -0.07   0.04   0.09     0.01  -0.07  -0.01
     5   8     0.02   0.01  -0.01     0.05   0.04  -0.03    -0.07  -0.08   0.05
     6   6    -0.05   0.01  -0.04     0.08  -0.03  -0.05    -0.15   0.03  -0.15
     7   7    -0.08  -0.01  -0.06     0.22   0.03  -0.08     0.13  -0.05   0.01
     8   8    -0.03  -0.01   0.01    -0.13  -0.12   0.15     0.02  -0.02  -0.04
     9   1     0.06  -0.05   0.06    -0.15  -0.03   0.09     0.15  -0.05   0.02
    10   1     0.04   0.01   0.04    -0.11  -0.03  -0.05     0.04   0.05   0.10
    11   1    -0.01   0.00  -0.05     0.10  -0.12  -0.05    -0.12   0.05   0.06
    12   1     0.09  -0.12  -0.36     0.52   0.16  -0.47     0.15   0.00   0.01
    13   1    -0.42   0.03  -0.12    -0.05   0.16  -0.17     0.15  -0.04   0.01
    14   1     0.08   0.13  -0.13     0.14  -0.02  -0.07    -0.36   0.30  -0.21
    15   1    -0.10  -0.09   0.11     0.10   0.08  -0.04    -0.16  -0.21  -0.34
    16   1    -0.22  -0.03  -0.21     0.13  -0.13  -0.08    -0.16  -0.03  -0.20
    17   1     0.46   0.02  -0.06    -0.08   0.06  -0.20    -0.16   0.16  -0.07
    18   1    -0.10   0.27   0.02    -0.12   0.15  -0.05     0.06   0.17   0.12
    19   1    -0.01  -0.35   0.15    -0.09   0.10   0.01     0.04   0.36   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.4821               454.5686               526.0454
 Red. masses --      3.1232                 2.5839                 3.8270
 Frc consts  --      0.2806                 0.3146                 0.6240
 IR Inten    --      7.1299                 5.4136                13.1365
 RamAct Fr= 1--      0.9971                 0.7109                 3.7952
  Dep-P Fr= 1--      0.5548                 0.3874                 0.1010
  Dep-U Fr= 1--      0.7136                 0.5585                 0.1835
 Alpha2 Fr= 1--      0.0037                 0.0055                 0.0663
 Beta2  Fr= 1--      0.1186                 0.0662                 0.1161
 AlphaG Fr= 1--      0.0057                 0.0054                -0.0085
 Gamma2 Fr= 1--      0.3151                 0.1749                 0.5768
 Delta2 Fr= 1--     -0.0366                 0.0324                 0.1809
 Raman1 Fr= 1--       3.988                  2.844                 15.181
 ROA1   Fr= 1--      29.080                 17.830                 61.167
 CID1   Fr= 1--       7.291                  6.270                  4.029
 Raman2 Fr= 1--       1.423                  0.794                  1.393
 ROA2   Fr= 1--       7.856                  3.938                 12.397
 CID2   Fr= 1--       5.520                  4.960                  8.899
 Raman3 Fr= 1--       2.846                  1.588                  2.786
 ROA3   Fr= 1--      29.080                 17.830                 61.167
 CID3   Fr= 1--      10.217                 11.227                 21.953
 RC180  Fr= 1--       0.427                  0.117                 -0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.08  -0.04     0.07   0.07   0.07     0.00   0.03   0.02
     2   6     0.08  -0.09  -0.00    -0.16  -0.10   0.16     0.12  -0.09   0.03
     3   6     0.08  -0.05   0.09    -0.11  -0.00  -0.02     0.09   0.17  -0.02
     4   6     0.09   0.06   0.10    -0.08   0.05  -0.08     0.01  -0.00  -0.06
     5   8     0.12   0.13  -0.09     0.04   0.00  -0.05    -0.10  -0.03   0.11
     6   6    -0.01  -0.13  -0.07     0.05  -0.09  -0.04     0.08  -0.19  -0.01
     7   7    -0.13  -0.08   0.03    -0.03   0.01  -0.00    -0.10   0.24  -0.08
     8   8    -0.04   0.07   0.03     0.09   0.06  -0.01    -0.05  -0.13  -0.02
     9   1    -0.02  -0.10   0.12     0.01   0.01  -0.03     0.13   0.24  -0.06
    10   1     0.10  -0.12  -0.00    -0.18  -0.09   0.15     0.23  -0.19   0.07
    11   1    -0.06   0.06  -0.32     0.29  -0.21   0.10    -0.07   0.24   0.28
    12   1    -0.30  -0.28   0.21    -0.08   0.05   0.09    -0.25   0.03   0.05
    13   1    -0.04  -0.06   0.03     0.06  -0.01   0.02    -0.00   0.32  -0.10
    14   1    -0.10  -0.03  -0.09     0.13   0.07  -0.13     0.06  -0.14  -0.03
    15   1    -0.01  -0.22  -0.16     0.12   0.11  -0.14     0.09  -0.19  -0.07
    16   1    -0.01  -0.15  -0.08     0.20  -0.40  -0.14     0.11  -0.24  -0.02
    17   1    -0.31   0.07  -0.22     0.14   0.08  -0.15    -0.16   0.02  -0.15
    18   1    -0.15   0.10  -0.06     0.24   0.27   0.32    -0.05   0.07   0.00
    19   1    -0.10   0.32   0.15     0.13   0.09  -0.15     0.01   0.22   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    617.8145               671.2331               738.2570
 Red. masses --      1.3082                 3.2033                 3.0117
 Frc consts  --      0.2942                 0.8503                 0.9671
 IR Inten    --     82.8787                14.0096                33.6490
 RamAct Fr= 1--      0.3798                 3.2325                11.8359
  Dep-P Fr= 1--      0.7412                 0.2702                 0.0411
  Dep-U Fr= 1--      0.8514                 0.4254                 0.0789
 Alpha2 Fr= 1--      0.0001                 0.0362                 0.2388
 Beta2  Fr= 1--      0.0539                 0.2292                 0.1556
 AlphaG Fr= 1--     -0.0029                -0.0468                 0.0752
 Gamma2 Fr= 1--     -0.4189                -1.0008                 0.6509
 Delta2 Fr= 1--      0.0534                -0.2560                -0.0872
 Raman1 Fr= 1--       1.519                 12.930                 47.344
 ROA1   Fr= 1--     -38.509               -104.272                 59.699
 CID1   Fr= 1--     -25.348                 -8.064                  1.261
 Raman2 Fr= 1--       0.647                  2.750                  1.867
 ROA2   Fr= 1--     -10.482                -21.972                 16.320
 CID2   Fr= 1--     -16.208                 -7.988                  8.742
 Raman3 Fr= 1--       1.293                  5.501                  3.734
 ROA3   Fr= 1--     -38.509               -104.272                 59.699
 CID3   Fr= 1--     -29.773                -18.955                 15.988
 RC180  Fr= 1--       0.703                 -0.149                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.01  -0.01  -0.04    -0.06  -0.05  -0.10
     2   6     0.08   0.01  -0.02     0.06   0.00  -0.03    -0.16  -0.02   0.04
     3   6     0.02  -0.02  -0.03    -0.02   0.05   0.20     0.08   0.02   0.16
     4   6    -0.05   0.05  -0.04    -0.04  -0.11   0.10     0.23  -0.07   0.03
     5   8    -0.04   0.06  -0.02    -0.07  -0.17  -0.12    -0.06   0.08   0.00
     6   6     0.00   0.01  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.01
     7   7    -0.01  -0.04   0.02    -0.00   0.09  -0.03     0.01   0.00  -0.00
     8   8    -0.04  -0.02   0.02     0.07   0.18  -0.02    -0.02  -0.06  -0.12
     9   1     0.05  -0.04  -0.03    -0.05   0.08   0.18     0.07   0.01   0.17
    10   1     0.07   0.02  -0.02    -0.01   0.00  -0.09    -0.13  -0.07   0.04
    11   1     0.69  -0.35   0.54     0.26  -0.63  -0.01     0.35   0.13   0.46
    12   1    -0.03  -0.05   0.05     0.03   0.00  -0.12    -0.03  -0.21  -0.03
    13   1    -0.03  -0.12   0.05     0.10   0.41  -0.16     0.00   0.21  -0.10
    14   1    -0.05   0.01   0.01    -0.00  -0.05   0.01     0.11   0.06  -0.02
    15   1    -0.03  -0.12   0.01    -0.01  -0.08   0.04     0.02   0.38   0.00
    16   1    -0.07   0.09   0.00    -0.03   0.05   0.01     0.12  -0.14  -0.00
    17   1    -0.03   0.00   0.03    -0.10  -0.02  -0.04     0.02  -0.05  -0.17
    18   1    -0.05  -0.03  -0.06    -0.12  -0.04  -0.15     0.06   0.04   0.05
    19   1    -0.01   0.03   0.09    -0.04   0.05   0.15    -0.02  -0.09  -0.28
                     16                     17                     18
                      A                      A                      A
 Frequencies --    820.2330               844.6948               920.6489
 Red. masses --      3.9346                 2.0312                 1.7460
 Frc consts  --      1.5597                 0.8539                 0.8719
 IR Inten    --      9.7454                72.4114                91.1734
 RamAct Fr= 1--      5.9945                 1.6215                 2.2304
  Dep-P Fr= 1--      0.0632                 0.7414                 0.7073
  Dep-U Fr= 1--      0.1188                 0.8515                 0.8286
 Alpha2 Fr= 1--      0.1147                 0.0002                 0.0017
 Beta2  Fr= 1--      0.1187                 0.2301                 0.3080
 AlphaG Fr= 1--     -0.0773                 0.0002                -0.0106
 Gamma2 Fr= 1--     -0.0439                -0.5493                 0.1387
 Delta2 Fr= 1--      0.9082                -0.2827                 0.2126
 Raman1 Fr= 1--      23.978                  6.486                  8.922
 ROA1   Fr= 1--      24.843                -61.782                 20.119
 CID1   Fr= 1--       1.036                 -9.525                  2.255
 Raman2 Fr= 1--       1.425                  2.762                  3.696
 ROA2   Fr= 1--      -8.320                -10.923                  1.629
 CID2   Fr= 1--      -5.841                 -3.955                  0.441
 Raman3 Fr= 1--       2.849                  5.523                  7.392
 ROA3   Fr= 1--      24.843                -61.782                 20.119
 CID3   Fr= 1--       8.720                -11.186                  2.722
 RC180  Fr= 1--      -0.762                  0.703                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.04  -0.05  -0.07    -0.02  -0.06  -0.06
     2   6    -0.04   0.04  -0.08    -0.03  -0.03   0.06     0.05  -0.04   0.07
     3   6    -0.05  -0.01  -0.23     0.15  -0.02  -0.09     0.03   0.06  -0.11
     4   6     0.23  -0.14   0.24    -0.06   0.00   0.05     0.01  -0.01   0.04
     5   8    -0.06   0.02  -0.06    -0.01  -0.06  -0.02    -0.01  -0.01  -0.01
     6   6     0.00  -0.09  -0.02    -0.03   0.08   0.02    -0.01   0.07   0.05
     7   7     0.01   0.07  -0.02     0.05   0.09  -0.04    -0.10  -0.09   0.05
     8   8    -0.09   0.05  -0.01    -0.03   0.04   0.08    -0.02   0.02   0.02
     9   1    -0.37  -0.06  -0.17     0.23  -0.04  -0.09     0.07   0.11  -0.13
    10   1     0.15   0.00   0.08     0.15  -0.11   0.16     0.25  -0.15   0.18
    11   1     0.16  -0.24   0.05    -0.03  -0.25  -0.13     0.00  -0.09  -0.03
    12   1     0.05   0.30   0.02    -0.29  -0.30   0.27     0.30   0.41  -0.28
    13   1    -0.08  -0.27   0.12    -0.36  -0.36   0.13     0.41   0.26  -0.07
    14   1     0.04  -0.19   0.01     0.01   0.18  -0.03    -0.03   0.30  -0.05
    15   1     0.01  -0.04   0.01     0.01   0.19  -0.05     0.02   0.06  -0.09
    16   1     0.04  -0.09   0.01     0.05  -0.08  -0.02     0.03  -0.11  -0.06
    17   1     0.16   0.09   0.29     0.01  -0.05  -0.22    -0.03  -0.06  -0.26
    18   1     0.15   0.06   0.26     0.06   0.04   0.06     0.03   0.06   0.04
    19   1     0.04  -0.05  -0.08     0.00  -0.04  -0.21     0.02   0.05  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.9160               955.6076               974.3675
 Red. masses --      1.2039                 2.2520                 1.4323
 Frc consts  --      0.6253                 1.2117                 0.8012
 IR Inten    --      0.5922                14.2920                 0.6999
 RamAct Fr= 1--      0.6538                 6.3027                 2.1531
  Dep-P Fr= 1--      0.6361                 0.7085                 0.7425
  Dep-U Fr= 1--      0.7776                 0.8294                 0.8522
 Alpha2 Fr= 1--      0.0013                 0.0045                 0.0003
 Beta2  Fr= 1--      0.0847                 0.8712                 0.3058
 AlphaG Fr= 1--     -0.0043                -0.0025                 0.0007
 Gamma2 Fr= 1--     -0.4904                -0.5485                 0.0397
 Delta2 Fr= 1--     -0.3178                 0.5018                 0.1452
 Raman1 Fr= 1--       2.615                 25.211                  8.612
 ROA1   Fr= 1--     -57.248                -36.603                  8.456
 CID1   Fr= 1--     -21.892                 -1.452                  0.982
 Raman2 Fr= 1--       1.017                 10.455                  3.670
 ROA2   Fr= 1--      -9.226                -17.179                 -0.209
 CID2   Fr= 1--      -9.075                 -1.643                 -0.057
 Raman3 Fr= 1--       2.033                 20.910                  7.340
 ROA3   Fr= 1--     -57.248                -36.603                  8.456
 CID3   Fr= 1--     -28.154                 -1.751                  1.152
 RC180  Fr= 1--       0.555                  0.659                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07  -0.05    -0.02   0.06   0.06     0.10  -0.02   0.07
     2   6    -0.01   0.05   0.01    -0.08   0.06  -0.09     0.01  -0.08  -0.04
     3   6     0.02   0.01  -0.00     0.18   0.09  -0.01    -0.03   0.00  -0.01
     4   6    -0.01   0.00  -0.00    -0.06   0.04  -0.01     0.01  -0.01   0.00
     5   8    -0.00  -0.01  -0.00    -0.01  -0.04   0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.05   0.07    -0.06  -0.08  -0.08    -0.09   0.08  -0.02
     7   7    -0.00  -0.01   0.00    -0.03  -0.11   0.04     0.01  -0.00  -0.01
     8   8    -0.00   0.00   0.01    -0.01   0.02   0.05     0.00  -0.00  -0.00
     9   1     0.04  -0.00   0.00     0.26   0.21  -0.07    -0.06  -0.03   0.00
    10   1     0.00  -0.29  -0.20     0.07   0.03   0.03     0.01  -0.29  -0.18
    11   1    -0.00  -0.01  -0.00    -0.01  -0.11  -0.04    -0.00   0.01  -0.00
    12   1     0.01  -0.01  -0.01     0.09  -0.16  -0.14    -0.02   0.02   0.03
    13   1    -0.01  -0.02   0.01     0.15   0.18  -0.08    -0.03  -0.08   0.02
    14   1     0.04   0.32  -0.11     0.21  -0.54   0.05     0.17  -0.06  -0.02
    15   1     0.05   0.05  -0.18     0.00   0.38   0.13     0.00   0.53   0.01
    16   1     0.09  -0.44  -0.13     0.14  -0.01   0.13     0.16  -0.10   0.05
    17   1     0.04   0.06   0.49     0.10   0.07   0.19    -0.22  -0.04  -0.12
    18   1    -0.09  -0.29  -0.32     0.08   0.03   0.14    -0.17   0.03  -0.14
    19   1    -0.07  -0.20   0.03     0.01  -0.05  -0.13     0.04   0.26   0.54
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1087.9902              1123.5257              1135.8484
 Red. masses --      1.5720                 3.0551                 1.9296
 Frc consts  --      1.0964                 2.2721                 1.4668
 IR Inten    --      4.5441                65.6801               155.7992
 RamAct Fr= 1--      4.3243                 1.2139                 1.6699
  Dep-P Fr= 1--      0.7160                 0.4155                 0.6915
  Dep-U Fr= 1--      0.8345                 0.5871                 0.8176
 Alpha2 Fr= 1--      0.0025                 0.0085                 0.0017
 Beta2  Fr= 1--      0.6014                 0.1188                 0.2276
 AlphaG Fr= 1--      0.0042                 0.0193                -0.0057
 Gamma2 Fr= 1--     -0.4846                -0.1573                 0.2188
 Delta2 Fr= 1--      0.1179                -0.2265                -0.3866
 Raman1 Fr= 1--      17.297                  4.856                  6.680
 ROA1   Fr= 1--     -42.743                -22.351                  8.632
 CID1   Fr= 1--      -2.471                 -4.603                  1.292
 Raman2 Fr= 1--       7.217                  1.425                  2.731
 ROA2   Fr= 1--     -12.573                 -1.963                  8.344
 CID2   Fr= 1--      -1.742                 -1.377                  3.055
 Raman3 Fr= 1--      14.434                  2.851                  5.462
 ROA3   Fr= 1--     -42.743                -22.351                  8.632
 CID3   Fr= 1--      -2.961                 -7.840                  1.580
 RC180  Fr= 1--       0.669                  0.174                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.08     0.05  -0.06  -0.04    -0.04   0.01   0.00
     2   6    -0.03   0.12   0.10    -0.02   0.10   0.06     0.07   0.00  -0.00
     3   6     0.00  -0.03  -0.01    -0.10   0.27  -0.03     0.01  -0.07   0.05
     4   6     0.00  -0.04   0.02     0.10   0.08   0.02     0.06   0.16  -0.03
     5   8     0.01   0.03   0.01    -0.03  -0.11  -0.06    -0.02  -0.13  -0.07
     6   6    -0.02  -0.08  -0.04     0.03  -0.06   0.03    -0.05  -0.01  -0.01
     7   7    -0.02   0.03  -0.02     0.07  -0.17  -0.02    -0.04   0.04  -0.01
     8   8    -0.01   0.00  -0.00    -0.02   0.02   0.03    -0.01   0.01   0.04
     9   1     0.51  -0.30   0.05    -0.16   0.22   0.01    -0.20  -0.48   0.25
    10   1    -0.18   0.26   0.05    -0.07   0.23   0.09     0.13  -0.02   0.04
    11   1    -0.00  -0.08  -0.05    -0.00   0.31   0.19     0.04   0.43   0.27
    12   1     0.08   0.41   0.00    -0.11  -0.35   0.15     0.07   0.36  -0.01
    13   1     0.08  -0.19   0.10    -0.19  -0.38   0.05     0.05  -0.15   0.09
    14   1     0.08  -0.28   0.02    -0.02   0.02   0.00     0.09  -0.08  -0.01
    15   1    -0.01   0.06   0.08     0.02  -0.15  -0.02     0.00   0.23  -0.00
    16   1     0.07  -0.05   0.06    -0.00  -0.12  -0.03     0.08  -0.06   0.04
    17   1    -0.14  -0.05  -0.11    -0.14  -0.07  -0.23     0.10   0.02   0.02
    18   1    -0.15  -0.05  -0.25    -0.11   0.05  -0.12     0.08  -0.01   0.09
    19   1    -0.01   0.07   0.18     0.03   0.15   0.21    -0.01  -0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1148.7457              1206.5749              1243.3324
 Red. masses --      2.0159                 2.0079                 1.5588
 Frc consts  --      1.5673                 1.7223                 1.4197
 IR Inten    --     52.5007                 1.8064                 9.8710
 RamAct Fr= 1--      1.0789                 3.4446                 1.1257
  Dep-P Fr= 1--      0.7372                 0.5816                 0.4402
  Dep-U Fr= 1--      0.8487                 0.7355                 0.6113
 Alpha2 Fr= 1--      0.0002                 0.0109                 0.0072
 Beta2  Fr= 1--      0.1526                 0.4222                 0.1147
 AlphaG Fr= 1--     -0.0034                 0.0035                 0.0131
 Gamma2 Fr= 1--      0.1589                -0.0048                -0.1267
 Delta2 Fr= 1--      0.2896                -0.3604                 0.0375
 Raman1 Fr= 1--       4.316                 13.778                  4.503
 ROA1   Fr= 1--      24.521                -11.994                -10.965
 CID1   Fr= 1--       5.682                 -0.871                 -2.435
 Raman2 Fr= 1--       1.831                  5.067                  1.376
 ROA2   Fr= 1--       1.496                  2.768                 -3.342
 CID2   Fr= 1--       0.817                  0.546                 -2.428
 Raman3 Fr= 1--       3.663                 10.134                  2.753
 ROA3   Fr= 1--      24.521                -11.994                -10.965
 CID3   Fr= 1--       6.695                 -1.184                 -3.984
 RC180  Fr= 1--       0.697                  0.471                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.02   0.10  -0.08     0.04   0.00  -0.04
     2   6     0.14   0.12  -0.02     0.06  -0.12   0.16     0.03   0.05   0.08
     3   6    -0.09   0.03   0.06    -0.07   0.08  -0.00    -0.02  -0.14  -0.08
     4   6    -0.07  -0.08  -0.02     0.01  -0.03   0.01     0.01   0.02   0.00
     5   8     0.02   0.07   0.04    -0.00   0.01   0.00     0.01  -0.02  -0.02
     6   6    -0.09  -0.05   0.02    -0.00   0.05  -0.12    -0.05  -0.03  -0.01
     7   7     0.03  -0.02  -0.02     0.01  -0.03  -0.02     0.02   0.04   0.05
     8   8     0.03  -0.02  -0.04     0.00  -0.00  -0.01    -0.01   0.01   0.02
     9   1    -0.26  -0.00   0.10    -0.04   0.07   0.01    -0.27   0.28  -0.23
    10   1     0.48   0.02   0.23     0.22  -0.24   0.23     0.04   0.31   0.26
    11   1    -0.01  -0.17  -0.12    -0.01  -0.02  -0.03     0.03   0.17   0.10
    12   1    -0.04  -0.01   0.08    -0.02   0.01   0.04    -0.05  -0.39  -0.04
    13   1    -0.10  -0.15   0.03    -0.05  -0.14   0.02    -0.00   0.50  -0.16
    14   1     0.21  -0.04  -0.06     0.02  -0.34   0.06     0.08  -0.09  -0.01
    15   1     0.02   0.32  -0.07    -0.05   0.13   0.23    -0.02   0.14   0.02
    16   1     0.20  -0.34   0.04     0.04   0.38   0.16     0.09  -0.10   0.05
    17   1     0.10  -0.02  -0.17     0.07   0.08   0.35    -0.08  -0.01  -0.00
    18   1     0.10   0.08   0.18     0.03  -0.28  -0.23    -0.08  -0.07  -0.18
    19   1     0.03   0.02  -0.26    -0.09  -0.26  -0.10    -0.00  -0.02   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.3970              1324.0365              1353.8863
 Red. masses --      1.4017                 1.6072                 1.4719
 Frc consts  --      1.3602                 1.6601                 1.5896
 IR Inten    --      2.4937                16.6902                 9.8618
 RamAct Fr= 1--      9.3243                 3.2529                 3.9143
  Dep-P Fr= 1--      0.5200                 0.4449                 0.6944
  Dep-U Fr= 1--      0.6842                 0.6158                 0.8197
 Alpha2 Fr= 1--      0.0418                 0.0204                 0.0038
 Beta2  Fr= 1--      1.0634                 0.3339                 0.5347
 AlphaG Fr= 1--     -0.0190                -0.0117                -0.0051
 Gamma2 Fr= 1--     -1.6157                 0.1777                 1.5922
 Delta2 Fr= 1--      1.1854                -0.7738                 1.1965
 Raman1 Fr= 1--      37.297                 13.012                 15.657
 ROA1   Fr= 1--    -117.171                 -7.702                191.135
 CID1   Fr= 1--      -3.142                 -0.592                 12.208
 Raman2 Fr= 1--      12.760                  4.006                  6.417
 ROA2   Fr= 1--     -48.259                 10.455                 28.640
 CID2   Fr= 1--      -3.782                  2.610                  4.463
 Raman3 Fr= 1--      25.521                  8.012                 12.833
 ROA3   Fr= 1--    -117.171                 -7.702                191.135
 CID3   Fr= 1--      -4.591                 -0.961                 14.894
 RC180  Fr= 1--       0.368                  0.232                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00   0.02     0.04  -0.01  -0.00     0.02   0.04  -0.02
     2   6     0.08  -0.02  -0.02    -0.12   0.07  -0.02     0.01  -0.12  -0.05
     3   6    -0.10  -0.02   0.00     0.04  -0.02   0.02     0.07   0.02   0.04
     4   6    -0.01  -0.08   0.02    -0.09  -0.11   0.00    -0.05  -0.07   0.00
     5   8     0.03  -0.00  -0.04     0.04   0.01  -0.04     0.02   0.01  -0.01
     6   6    -0.02   0.01   0.00     0.05   0.01  -0.02    -0.03  -0.01   0.04
     7   7     0.02  -0.00  -0.00    -0.00   0.01  -0.01    -0.02  -0.01  -0.04
     8   8    -0.02   0.04   0.04     0.01   0.03   0.02     0.00   0.02   0.01
     9   1     0.68   0.23  -0.20    -0.15  -0.02   0.04    -0.14   0.22  -0.02
    10   1    -0.12  -0.07  -0.24     0.51  -0.39   0.25    -0.16   0.68   0.32
    11   1     0.06   0.44   0.24     0.09   0.50   0.28     0.04   0.21   0.12
    12   1    -0.03  -0.06   0.03     0.02   0.08  -0.01     0.03   0.25   0.00
    13   1    -0.04   0.04  -0.03     0.01  -0.05   0.02     0.02  -0.26   0.08
    14   1     0.07   0.00  -0.02    -0.11  -0.06   0.05     0.03   0.17  -0.04
    15   1    -0.01   0.05  -0.02    -0.00  -0.18   0.04     0.02   0.13  -0.08
    16   1     0.04  -0.04   0.02    -0.06   0.08  -0.05    -0.01  -0.07   0.00
    17   1     0.11   0.01  -0.01    -0.12  -0.02  -0.01    -0.00   0.03   0.14
    18   1     0.09   0.02   0.15    -0.09   0.06  -0.08     0.04  -0.07  -0.05
    19   1    -0.01  -0.02  -0.13     0.03   0.05   0.09    -0.04  -0.07   0.11
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1386.0551              1410.8789              1425.0914
 Red. masses --      1.3274                 1.2548                 1.4555
 Frc consts  --      1.5025                 1.4717                 1.7415
 IR Inten    --      2.0184                 8.6047                 4.7568
 RamAct Fr= 1--      3.9951                 0.1720                 1.0165
  Dep-P Fr= 1--      0.7413                 0.7436                 0.4043
  Dep-U Fr= 1--      0.8515                 0.8529                 0.5758
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0074
 Beta2  Fr= 1--      0.5670                 0.0244                 0.0975
 AlphaG Fr= 1--      0.0051                 0.0002                 0.0095
 Gamma2 Fr= 1--      1.1551                -0.0104                 0.2381
 Delta2 Fr= 1--     -1.0500                -0.0914                -0.3492
 Raman1 Fr= 1--      15.981                  0.688                  4.066
 ROA1   Fr= 1--      77.288                 -3.919                 11.680
 CID1   Fr= 1--       4.836                 -5.697                  2.872
 Raman2 Fr= 1--       6.803                  0.293                  1.171
 ROA2   Fr= 1--      36.121                  0.482                  8.507
 CID2   Fr= 1--       5.309                  1.644                  7.268
 Raman3 Fr= 1--      13.607                  0.587                  2.341
 ROA3   Fr= 1--      77.288                 -3.919                 11.680
 CID3   Fr= 1--       5.680                 -6.679                  4.989
 RC180  Fr= 1--       0.703                  0.706                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.04    -0.03  -0.05  -0.09     0.03   0.02   0.05
     2   6    -0.04  -0.05  -0.09     0.00   0.03   0.03    -0.04   0.02  -0.03
     3   6    -0.09   0.01  -0.00     0.01  -0.02   0.00    -0.03  -0.09   0.09
     4   6     0.03   0.05   0.00     0.00   0.00   0.00     0.06   0.09  -0.01
     5   8    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.02  -0.02   0.01
     6   6     0.01   0.01   0.03     0.02  -0.10  -0.02     0.02  -0.04   0.00
     7   7     0.02   0.01   0.03    -0.00   0.00  -0.01    -0.01  -0.01  -0.05
     8   8    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     9   1     0.46  -0.35   0.09    -0.07   0.12  -0.05     0.20   0.60  -0.23
    10   1     0.41   0.17   0.46    -0.02  -0.10  -0.08     0.27  -0.09   0.17
    11   1    -0.02  -0.10  -0.06     0.00   0.00   0.00    -0.02  -0.16  -0.08
    12   1    -0.02  -0.18  -0.00     0.01   0.02  -0.01     0.00   0.27   0.06
    13   1    -0.02   0.17  -0.05    -0.00  -0.03   0.01    -0.05  -0.19   0.04
    14   1    -0.01   0.04   0.01    -0.14   0.34  -0.14    -0.13   0.11  -0.02
    15   1     0.03   0.01  -0.11     0.08   0.36   0.11     0.06   0.17   0.00
    16   1    -0.09  -0.02  -0.07    -0.13   0.34   0.15    -0.15   0.13  -0.02
    17   1    -0.00   0.01   0.23     0.13  -0.03   0.36    -0.13   0.01  -0.20
    18   1     0.07   0.07   0.05     0.18   0.26   0.28    -0.14  -0.10  -0.16
    19   1    -0.03   0.04   0.21    -0.05   0.23   0.30     0.04  -0.12  -0.15
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1432.8556              1487.9467              1495.9643
 Red. masses --      1.2624                 1.0481                 1.0471
 Frc consts  --      1.5270                 1.3672                 1.3807
 IR Inten    --      6.8940                 1.6835                 1.4103
 RamAct Fr= 1--      1.4912                 5.7398                 4.3399
  Dep-P Fr= 1--      0.7262                 0.7454                 0.7432
  Dep-U Fr= 1--      0.8414                 0.8541                 0.8527
 Alpha2 Fr= 1--      0.0006                 0.0004                 0.0005
 Beta2  Fr= 1--      0.2091                 0.8171                 0.6168
 AlphaG Fr= 1--     -0.0006                -0.0021                 0.0037
 Gamma2 Fr= 1--     -0.0066                 0.1650                 0.1705
 Delta2 Fr= 1--     -0.0125                -0.1139                 0.0847
 Raman1 Fr= 1--       5.965                 22.959                 17.360
 ROA1   Fr= 1--      -1.037                 12.196                 19.082
 CID1   Fr= 1--      -0.174                  0.531                  1.099
 Raman2 Fr= 1--       2.509                  9.805                  7.401
 ROA2   Fr= 1--      -0.059                  4.871                  3.416
 CID2   Fr= 1--      -0.023                  0.497                  0.462
 Raman3 Fr= 1--       5.019                 19.610                 14.803
 ROA3   Fr= 1--      -1.037                 12.196                 19.082
 CID3   Fr= 1--      -0.207                  0.622                  1.289
 RC180  Fr= 1--       0.683                  0.708                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.07     0.03  -0.02   0.00    -0.00  -0.03   0.02
     2   6     0.00  -0.01  -0.01    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
     3   6    -0.01   0.05  -0.04    -0.00   0.00   0.01    -0.01   0.00   0.00
     4   6    -0.02  -0.04   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.09   0.00    -0.04  -0.00  -0.00     0.01   0.01  -0.03
     7   7     0.01   0.00   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.03  -0.35   0.12     0.03   0.02  -0.00     0.04  -0.02   0.00
    10   1    -0.04   0.06  -0.01     0.01  -0.01   0.02     0.00   0.09   0.05
    11   1     0.01   0.07   0.04    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    12   1    -0.01  -0.15  -0.01     0.00   0.02   0.01     0.00  -0.02  -0.02
    13   1     0.01   0.13  -0.03    -0.01  -0.02   0.00     0.01  -0.01   0.01
    14   1    -0.09   0.36  -0.15     0.42   0.17  -0.19    -0.40   0.08   0.06
    15   1     0.09   0.37   0.02    -0.06  -0.27  -0.11    -0.08   0.05   0.47
    16   1    -0.17   0.34   0.14     0.23   0.19   0.33     0.20  -0.25  -0.04
    17   1    -0.08   0.02  -0.30    -0.28  -0.04   0.27     0.21  -0.00   0.21
    18   1    -0.18  -0.19  -0.22    -0.28   0.39  -0.04    -0.33   0.14  -0.19
    19   1     0.06  -0.15  -0.29     0.09  -0.02  -0.27     0.17   0.36  -0.27
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6877              1514.3673              1671.1224
 Red. masses --      1.0555                 1.0457                 1.0879
 Frc consts  --      1.4117                 1.4129                 1.7901
 IR Inten    --      5.6662                14.4676                34.4839
 RamAct Fr= 1--      8.4115                 1.4685                 2.4454
  Dep-P Fr= 1--      0.7469                 0.6913                 0.5268
  Dep-U Fr= 1--      0.8551                 0.8175                 0.6900
 Alpha2 Fr= 1--      0.0004                 0.0015                 0.0106
 Beta2  Fr= 1--      1.1988                 0.2001                 0.2812
 AlphaG Fr= 1--     -0.0024                -0.0002                -0.0028
 Gamma2 Fr= 1--     -0.1399                -0.1425                -0.1613
 Delta2 Fr= 1--      0.3479                 0.1967                 0.0967
 Raman1 Fr= 1--      33.646                  5.874                  9.782
 ROA1   Fr= 1--      -2.298                 -7.390                -12.393
 CID1   Fr= 1--      -0.068                 -1.258                 -1.267
 Raman2 Fr= 1--      14.386                  2.401                  3.375
 ROA2   Fr= 1--      -6.142                 -4.995                 -4.645
 CID2   Fr= 1--      -0.427                 -2.080                 -1.376
 Raman3 Fr= 1--      28.772                  4.802                  6.750
 ROA3   Fr= 1--      -2.298                 -7.390                -12.393
 CID3   Fr= 1--      -0.080                 -1.539                 -1.836
 RC180  Fr= 1--       0.710                  0.635                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03   0.00    -0.04  -0.01   0.01     0.00   0.00   0.00
     2   6    -0.02   0.01  -0.03    -0.03  -0.00   0.00     0.01   0.01   0.00
     3   6    -0.00  -0.00   0.01     0.00  -0.01   0.01    -0.02  -0.01   0.01
     4   6     0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.02  -0.01  -0.04    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07   0.00
     8   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.01   0.00     0.00   0.04  -0.02     0.02   0.05  -0.01
    10   1     0.06   0.00   0.03     0.05  -0.02   0.07     0.02  -0.01   0.00
    11   1    -0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.14  -0.49  -0.46
    13   1     0.00   0.01  -0.00     0.02  -0.03   0.02     0.51  -0.43   0.27
    14   1    -0.03   0.32  -0.15     0.32   0.04  -0.10    -0.00  -0.00   0.00
    15   1    -0.14  -0.23   0.44    -0.00  -0.15  -0.21     0.00   0.01   0.00
    16   1     0.46  -0.05   0.32     0.02   0.18   0.15    -0.00  -0.00  -0.00
    17   1    -0.01   0.02  -0.24     0.59   0.05  -0.09    -0.05  -0.00  -0.02
    18   1     0.25  -0.23   0.09    -0.06  -0.33  -0.20     0.00   0.01   0.00
    19   1    -0.11  -0.18   0.24     0.08   0.47   0.06    -0.01  -0.04  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1801.9880              3033.1170              3033.8824
 Red. masses --      9.5575                 1.0779                 1.0377
 Frc consts  --     18.2852                 5.8427                 5.6274
 IR Inten    --    260.1820                 8.4301                21.9677
 RamAct Fr= 1--     10.7891               136.2001                78.3063
  Dep-P Fr= 1--      0.1517                 0.2499                 0.0271
  Dep-U Fr= 1--      0.2634                 0.3999                 0.0528
 Alpha2 Fr= 1--      0.1661                 1.6146                 1.6329
 Beta2  Fr= 1--      0.4737                 9.0777                 0.6893
 AlphaG Fr= 1--     -0.0312                -0.1857                 0.0168
 Gamma2 Fr= 1--     -0.3512                -8.1578                 1.6698
 Delta2 Fr= 1--      0.2226                -5.7531                 0.9215
 Raman1 Fr= 1--      43.156                544.800                313.225
 ROA1   Fr= 1--     -26.593               -967.251                189.789
 CID1   Fr= 1--      -0.616                 -1.775                  0.606
 Raman2 Fr= 1--       5.684                108.932                  8.271
 ROA2   Fr= 1--     -10.210               -149.764                 32.704
 CID2   Fr= 1--      -1.796                 -1.375                  3.954
 Raman3 Fr= 1--      11.368                217.864                 16.543
 ROA3   Fr= 1--     -26.593               -967.251                189.789
 CID3   Fr= 1--      -2.339                 -4.440                 11.472
 RC180  Fr= 1--      -0.473                 -0.200                 -0.894
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01  -0.00   0.02     0.01   0.00   0.02
     2   6     0.01  -0.01   0.01     0.05   0.03  -0.05    -0.01  -0.01   0.01
     3   6     0.02  -0.00  -0.05     0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.31   0.26   0.58    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   8     0.02  -0.03  -0.05     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00   0.04   0.00
     7   7    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   8     0.18  -0.19  -0.36     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.19   0.10  -0.09    -0.01  -0.04  -0.10     0.01   0.02   0.05
    10   1    -0.05   0.02  -0.05    -0.55  -0.39   0.60     0.14   0.10  -0.16
    11   1     0.06   0.41   0.23    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.02  -0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.04  -0.03   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.02   0.00  -0.00    -0.03  -0.05  -0.12    -0.12  -0.19  -0.47
    15   1    -0.00   0.00   0.01     0.14  -0.02   0.03     0.48  -0.08   0.09
    16   1     0.02   0.00   0.02     0.02   0.02  -0.03    -0.30  -0.25   0.38
    17   1    -0.01   0.00   0.01     0.01  -0.12   0.00     0.02  -0.18   0.00
    18   1    -0.05   0.02  -0.01     0.20   0.12  -0.22     0.12   0.08  -0.13
    19   1     0.01   0.00  -0.06    -0.13   0.03  -0.03    -0.22   0.06  -0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3039.0645              3070.1275              3093.8015
 Red. masses --      1.0385                 1.0852                 1.1021
 Frc consts  --      5.6510                 6.0266                 6.2151
 IR Inten    --     19.1473                12.6462                 0.9813
 RamAct Fr= 1--    216.0947                88.1244                10.7226
  Dep-P Fr= 1--      0.0270                 0.1346                 0.7067
  Dep-U Fr= 1--      0.0526                 0.2373                 0.8281
 Alpha2 Fr= 1--      4.5073                 1.4161                 0.0081
 Beta2  Fr= 1--      1.8951                 3.4854                 1.4800
 AlphaG Fr= 1--     -0.3955                 0.7113                 0.0076
 Gamma2 Fr= 1--      0.6578                 8.9205                 4.9544
 Delta2 Fr= 1--      0.2912                 5.8930                 2.8756
 Raman1 Fr= 1--     864.379                352.498                 42.890
 ROA1   Fr= 1--      72.471               1044.949                567.640
 CID1   Fr= 1--       0.084                  2.964                 13.235
 Raman2 Fr= 1--      22.741                 41.825                 17.760
 ROA2   Fr= 1--      13.459                166.949                 95.901
 CID2   Fr= 1--       0.592                  3.992                  5.400
 Raman3 Fr= 1--      45.482                 83.650                 35.519
 ROA3   Fr= 1--      72.471               1044.949                567.640
 CID3   Fr= 1--       1.593                 12.492                 15.981
 RC180  Fr= 1--      -0.895                 -0.525                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.04    -0.00   0.00   0.00    -0.07   0.01   0.02
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.08     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.02   0.01     0.00  -0.00   0.01     0.05   0.01  -0.02
     7   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.01     0.11   0.39   0.90    -0.00  -0.01  -0.02
    10   1    -0.15  -0.11   0.16    -0.06  -0.04   0.06     0.01   0.00  -0.01
    11   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00   0.00
    14   1    -0.07  -0.10  -0.25    -0.01  -0.02  -0.04     0.01  -0.01  -0.02
    15   1     0.24  -0.04   0.05    -0.04   0.01  -0.00    -0.42   0.08  -0.09
    16   1    -0.11  -0.09   0.14     0.05   0.04  -0.05    -0.22  -0.20   0.29
    17   1    -0.04   0.45  -0.00     0.00  -0.01  -0.00    -0.01  -0.12   0.00
    18   1    -0.32  -0.20   0.36     0.03   0.02  -0.03     0.29   0.19  -0.35
    19   1     0.51  -0.13   0.12     0.02  -0.01   0.01     0.57  -0.14   0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3097.0886              3099.9281              3107.1690
 Red. masses --      1.1018                 1.1008                 1.1009
 Frc consts  --      6.2265                 6.2323                 6.2624
 IR Inten    --     33.0354                52.3696                28.8106
 RamAct Fr= 1--     73.2199                98.7760                48.8134
  Dep-P Fr= 1--      0.7498                 0.6091                 0.5654
  Dep-U Fr= 1--      0.8570                 0.7571                 0.7224
 Alpha2 Fr= 1--      0.0003                 0.2563                 0.1705
 Beta2  Fr= 1--     10.4583                12.4631                 5.8770
 AlphaG Fr= 1--     -0.0109                -0.1316                 0.2293
 Gamma2 Fr= 1--    -13.5451                 6.0618                 0.6476
 Delta2 Fr= 1--     -8.0677                 5.2895                -1.7091
 Raman1 Fr= 1--     292.880                395.104                195.253
 ROA1   Fr= 1--   -1558.494                751.192                  7.474
 CID1   Fr= 1--      -5.321                  1.901                  0.038
 Raman2 Fr= 1--     125.499                149.557                 70.524
 ROA2   Fr= 1--    -260.541                103.167                 29.215
 CID2   Fr= 1--      -2.076                  0.690                  0.414
 Raman3 Fr= 1--     250.998                299.115                141.048
 ROA3   Fr= 1--   -1558.494                751.192                  7.474
 CID3   Fr= 1--      -6.209                  2.511                  0.053
 RC180  Fr= 1--       0.714                  0.514                  0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.05   0.02   0.00    -0.01  -0.08   0.03
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.04  -0.00  -0.08    -0.06  -0.01   0.03    -0.01  -0.00   0.01
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.01   0.03   0.07    -0.01  -0.02  -0.04    -0.00  -0.00  -0.01
    10   1    -0.03  -0.02   0.03     0.11   0.08  -0.12     0.08   0.06  -0.09
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    14   1     0.18   0.30   0.70    -0.04  -0.04  -0.09    -0.02  -0.03  -0.06
    15   1     0.47  -0.09   0.07     0.47  -0.10   0.10     0.07  -0.01   0.02
    16   1    -0.20  -0.16   0.22     0.31   0.28  -0.40     0.08   0.07  -0.10
    17   1    -0.01   0.05   0.00     0.01  -0.28  -0.00    -0.07   0.81   0.01
    18   1     0.05   0.04  -0.06     0.14   0.10  -0.18     0.32   0.18  -0.37
    19   1     0.08  -0.02   0.02     0.46  -0.11   0.12    -0.12   0.01  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3489.2402              3558.4042              3711.1947
 Red. masses --      1.0491                 1.0922                 1.0639
 Frc consts  --      7.5257                 8.1482                 8.6336
 IR Inten    --      1.1706                 4.6949                51.5040
 RamAct Fr= 1--    105.6423                44.8499               109.3282
  Dep-P Fr= 1--      0.0932                 0.6437                 0.2249
  Dep-U Fr= 1--      0.1705                 0.7832                 0.3673
 Alpha2 Fr= 1--      1.8807                 0.0859                 1.3885
 Beta2  Fr= 1--      3.0015                 5.8548                 6.6921
 AlphaG Fr= 1--      0.2485                 0.0868                -0.0038
 Gamma2 Fr= 1--      0.2285                 0.5681                -1.7271
 Delta2 Fr= 1--     -0.4278                 1.4476                -0.8339
 Raman1 Fr= 1--     422.569                179.400                437.313
 ROA1   Fr= 1--       8.250                100.858               -192.485
 CID1   Fr= 1--       0.020                  0.562                 -0.440
 Raman2 Fr= 1--      36.018                 70.257                 80.306
 ROA2   Fr= 1--       8.907                  2.052                -34.779
 CID2   Fr= 1--       0.247                  0.029                 -0.433
 Raman3 Fr= 1--      72.036                140.515                160.611
 ROA3   Fr= 1--       8.250                100.858               -192.485
 CID3   Fr= 1--       0.115                  0.718                 -1.198
 RC180  Fr= 1--      -0.659                  0.566                 -0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02   0.04
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.04  -0.01  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1     0.00   0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.68   0.34  -0.64
    12   1    -0.54   0.16  -0.39     0.59  -0.18   0.38     0.00  -0.00   0.00
    13   1    -0.05   0.29   0.66    -0.09   0.28   0.62    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   757.782141010.508451267.05896
           X            0.99831  -0.04791   0.03290
           Y            0.04773   0.99884   0.00605
           Z           -0.03315  -0.00447   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11430     0.08571     0.06836
 Rotational constants (GHZ):           2.38161     1.78597     1.42435
 Zero-point vibrational energy     431688.5 (Joules/Mol)
                                  103.17602 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.05   132.62   254.84   318.29   351.98
          (Kelvin)            355.49   393.70   426.75   510.84   561.82
                              654.02   756.86   888.90   965.75  1062.19
                             1180.13  1215.33  1324.61  1350.89  1374.91
                             1401.90  1565.38  1616.50  1634.23  1652.79
                             1735.99  1788.88  1846.52  1904.99  1947.94
                             1994.22  2029.94  2050.39  2061.56  2140.82
                             2152.36  2167.79  2178.84  2404.37  2592.66
                             4363.98  4365.08  4372.54  4417.23  4451.29
                             4456.02  4460.11  4470.52  5020.24  5119.75
                             5339.58
 
 Zero-point correction=                           0.164421 (Hartree/Particle)
 Thermal correction to Energy=                    0.173888
 Thermal correction to Enthalpy=                  0.174833
 Thermal correction to Gibbs Free Energy=         0.130080
 Sum of electronic and zero-point Energies=           -402.405740
 Sum of electronic and thermal Energies=              -402.396273
 Sum of electronic and thermal Enthalpies=            -402.395329
 Sum of electronic and thermal Free Energies=         -402.440082
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.117             34.316             94.190
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.364
 Vibrational            107.339             28.355             25.638
 Vibration     1          0.594              1.981              5.311
 Vibration     2          0.602              1.955              3.613
 Vibration     3          0.628              1.871              2.358
 Vibration     4          0.648              1.809              1.949
 Vibration     5          0.660              1.772              1.769
 Vibration     6          0.661              1.768              1.751
 Vibration     7          0.676              1.722              1.573
 Vibration     8          0.690              1.680              1.436
 Vibration     9          0.731              1.565              1.144
 Vibration    10          0.758              1.491              0.998
 Vibration    11          0.813              1.351              0.782
 Vibration    12          0.881              1.192              0.596
 Vibration    13          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.147037D-59        -59.832572       -137.769589
 Total V=0       0.625139D+16         15.795977         36.371581
 Vib (Bot)       0.837470D-73        -73.077031       -168.266082
 Vib (Bot)    1  0.531157D+01          0.725223          1.669888
 Vib (Bot)    2  0.222968D+01          0.348243          0.801860
 Vib (Bot)    3  0.113506D+01          0.055020          0.126688
 Vib (Bot)    4  0.893680D+00         -0.048818         -0.112407
 Vib (Bot)    5  0.799801D+00         -0.097018         -0.223393
 Vib (Bot)    6  0.791003D+00         -0.101822         -0.234453
 Vib (Bot)    7  0.704950D+00         -0.151842         -0.349629
 Vib (Bot)    8  0.642395D+00         -0.192198         -0.442552
 Vib (Bot)    9  0.517933D+00         -0.285727         -0.657910
 Vib (Bot)   10  0.459609D+00         -0.337612         -0.777380
 Vib (Bot)   11  0.375850D+00         -0.424985         -0.978565
 Vib (Bot)   12  0.305139D+00         -0.515502         -1.186988
 Vib (Bot)   13  0.237252D+00         -0.624790         -1.438633
 Vib (V=0)       0.356056D+03          2.551518          5.875088
 Vib (V=0)    1  0.583506D+01          0.766045          1.763884
 Vib (V=0)    2  0.278506D+01          0.444834          1.024269
 Vib (V=0)    3  0.174031D+01          0.240626          0.554063
 Vib (V=0)    4  0.152404D+01          0.182997          0.421367
 Vib (V=0)    5  0.144323D+01          0.159335          0.366883
 Vib (V=0)    6  0.143578D+01          0.157088          0.361709
 Vib (V=0)    7  0.136427D+01          0.134899          0.310616
 Vib (V=0)    8  0.131405D+01          0.118611          0.273111
 Vib (V=0)    9  0.121990D+01          0.086324          0.198768
 Vib (V=0)   10  0.117915D+01          0.071568          0.164791
 Vib (V=0)   11  0.112551D+01          0.051350          0.118237
 Vib (V=0)   12  0.108576D+01          0.035732          0.082276
 Vib (V=0)   13  0.105343D+01          0.022607          0.052055
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.352603D+06          5.547286         12.773098
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1   1  1111111111 1111111                                     
     7     5 4        11000000                                         8   6  5544444333 2221110  9999 88  7  66  5  4 33222221      
     1     5 8        00997333                                         0   7  1098321852 8404328  7532 42  3  71  2  5 95974427  9 3 
     1     8 9        70740943                                         2   1  4768351644 3379648  4691 50  8  18  6  5 05747517  2 9 
 
     X     X X        XXXXXXXX                                         X   X  XXXXXXXXXX XXXXXXX  XXXX XX  X  XX  X  X XXXXXXXX  X X 
     X                XXX   X                                          X   X                XXX      X X   X   X             X       
     X                 XX                                              X   X                XXX      X X   X   X                     
     X                 X                                               X                    XXX      X X       X                     
                                                                       X                     XX      X X       X                     
                                                                       X                     X       X X       X                     
                                                                       X                     X       X                               
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004546   -0.000003305    0.000003751
      2        6           0.000000605    0.000003259   -0.000005464
      3        6          -0.000007992    0.000009056   -0.000013643
      4        6          -0.000001127   -0.000003068    0.000009449
      5        8           0.000001732   -0.000007233   -0.000008233
      6        6           0.000005715   -0.000000859    0.000004602
      7        7           0.000004557   -0.000013873    0.000003218
      8        8           0.000004035    0.000007379   -0.000008715
      9        1           0.000001721   -0.000000424    0.000005609
     10        1          -0.000004859   -0.000002689    0.000004653
     11        1           0.000002239    0.000000517   -0.000001485
     12        1          -0.000004999    0.000002769   -0.000002319
     13        1           0.000000048    0.000001534    0.000006365
     14        1           0.000002121   -0.000000477    0.000001113
     15        1           0.000002697   -0.000001628    0.000000880
     16        1           0.000002521    0.000003466   -0.000002068
     17        1          -0.000003605    0.000002314    0.000004097
     18        1          -0.000000056    0.000003540    0.000000360
     19        1          -0.000000808   -0.000000276   -0.000002172
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013873 RMS     0.000004839
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.806111D+02  0.259831D+00 -0.122447D+01
      2   0.259831D+00  0.815737D+02  0.186081D+01
      3  -0.122447D+01  0.186081D+01  0.734531D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.188374D+01 -0.246768D+01 -0.133805D+01
      2   0.138339D+02 -0.257465D+01  0.255496D+02
      3   0.112887D+02 -0.271912D+02  0.307834D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.769577D+02 -0.252576D+02  0.268042D+02
      2  -0.386353D+02  0.120990D+02 -0.223886D+02
      3  -0.383225D+02  0.131586D+02 -0.441555D+01
      4  -0.155146D+02  0.363912D+02  0.334916D+01
      5   0.196283D+02  0.288843D+01  0.398615D+02
      6   0.825382D+01 -0.147661D+02  0.798371D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.605423D+01  0.218678D+01 -0.367771D+01  0.262202D+01  0.926651D+00
      2   0.218678D+01  0.104477D+01 -0.134086D-01  0.926651D+00 -0.637126D+01
      3  -0.367771D+01 -0.134086D-01  0.183882D+01  0.280100D+00 -0.775912D+00
                 6             7             8             9            10 
      1   0.280100D+00 -0.279960D+01  0.133132D+00  0.240738D+01  0.570376D+01
      2  -0.775912D+00  0.133132D+00 -0.129771D+00  0.307926D+01 -0.340558D+01
      3   0.269763D+01  0.240738D+01  0.307926D+01  0.517961D+00  0.317112D+01
                11            12            13            14            15 
      1  -0.340558D+01  0.317112D+01 -0.455396D+01 -0.177767D+01  0.650212D+00
      2  -0.106809D+01  0.118437D+00 -0.177767D+01  0.382768D+01  0.108183D+01
      3   0.118437D+00 -0.266282D+01  0.650212D+00  0.108183D+01 -0.371521D+01
                16            17            18            19            20 
      1   0.549510D+01  0.121333D+00 -0.320492D+01 -0.618441D+01  0.429215D+01
      2   0.121333D+00  0.965366D+00 -0.417380D+01  0.429215D+01  0.135492D+01
      3  -0.320492D+01 -0.417380D+01 -0.814377D+00 -0.206830D+01 -0.733250D+00
                21            22            23            24            25 
      1  -0.206830D+01  0.247058D+01  0.977159D+00 -0.273271D-01 -0.317737D+01
      2  -0.733250D+00  0.977159D+00 -0.170441D+01  0.732017D+00 -0.105923D+01
      3   0.116465D+01 -0.273271D-01  0.732017D+00  0.285879D+01  0.133181D+01
                26            27            28            29            30 
      1  -0.105923D+01  0.133181D+01  0.551974D+00 -0.211258D+01 -0.104925D+00
      2  -0.705198D+00  0.332572D+01 -0.211258D+01  0.680533D+00  0.117539D+01
      3   0.332572D+01  0.383164D+01 -0.104925D+00  0.117539D+01  0.206703D+00
                31            32            33            34            35 
      1  -0.156439D+01 -0.495395D+00  0.180257D+01 -0.248878D+01  0.165336D+01
      2  -0.495395D+00 -0.681152D+00  0.604560D+00  0.165336D+01  0.478277D-01
      3   0.180257D+01  0.604560D+00 -0.273335D+01  0.698148D+00 -0.241611D+01
                36            37            38            39            40 
      1   0.698148D+00  0.259709D+01  0.534065D+00 -0.234046D+01 -0.996437D-01
      2  -0.241611D+01  0.534065D+00  0.130110D+01 -0.121012D+01  0.519415D+00
      3  -0.290053D+01 -0.234046D+01 -0.121012D+01  0.864300D+00 -0.144384D+01
                41            42            43            44            45 
      1   0.519415D+00 -0.144384D+01 -0.358469D+01 -0.248408D+01  0.397523D+00
      2  -0.359993D+01 -0.190119D+01 -0.248408D+01 -0.344957D+01 -0.346279D+00
      3  -0.190119D+01  0.271843D+00  0.397523D+00 -0.346279D+00 -0.248873D+01
                46            47            48            49            50 
      1  -0.614202D+01  0.316826D+01 -0.206287D+01  0.220580D+01  0.193275D+01
      2   0.316826D+01  0.140426D+01  0.525725D-01  0.193275D+01 -0.289619D+01
      3  -0.206287D+01  0.525725D-01  0.263327D+01 -0.208530D+00 -0.461903D+00
                51            52            53            54            55 
      1  -0.208530D+00 -0.240703D+01 -0.107264D-01  0.236582D+01  0.435316D+01
      2  -0.461903D+00 -0.107264D-01 -0.392349D-02  0.428254D+01 -0.188997D+01
      3   0.373314D+01  0.236582D+01  0.428254D+01  0.302633D+01  0.239334D+01
                56            57            58            59            60 
      1  -0.188997D+01  0.239334D+01 -0.873415D+00  0.573879D+00 -0.408666D+00
      2   0.181578D+01 -0.399316D+00  0.573879D+00  0.418777D+01 -0.168687D+01
      3  -0.399316D+00  0.177468D+01 -0.408666D+00 -0.168687D+01 -0.128124D+01
                61            62            63            64            65 
      1   0.247535D+01 -0.448566D+00  0.159591D+01 -0.392208D+01  0.176182D+01
      2  -0.448566D+00 -0.194733D+01 -0.845970D+00  0.176182D+01 -0.175280D+01
      3   0.159591D+01 -0.845970D+00 -0.317548D+01  0.296842D+01 -0.702368D+00
                66            67            68            69            70 
      1   0.296842D+01  0.276167D+01 -0.131941D+01 -0.101811D+01  0.466901D+01
      2  -0.702368D+00 -0.131941D+01  0.377132D+01  0.188196D+01 -0.516005D+00
      3  -0.183080D+01 -0.101811D+01  0.188196D+01  0.228906D+01 -0.273289D+01
                71            72            73            74            75 
      1  -0.516005D+00 -0.273289D+01  0.309132D+00 -0.897509D+00 -0.106972D+01
      2   0.303626D+01  0.216021D+01 -0.897509D+00 -0.185999D+00 -0.683609D-01
      3   0.216021D+01  0.759973D+01 -0.106972D+01 -0.683609D-01 -0.674760D+00
                76            77            78            79            80 
      1  -0.121153D+01 -0.273204D+00 -0.181058D+00 -0.103779D+01  0.485990D-01
      2  -0.273204D+00 -0.101643D+01 -0.162317D+01  0.485990D-01 -0.168985D+01
      3  -0.181058D+00 -0.162317D+01 -0.184730D+01 -0.980360D+00 -0.156435D+01
                81            82            83            84            85 
      1  -0.980360D+00  0.326600D+01  0.166691D+01 -0.262477D+01  0.226845D+01
      2  -0.156435D+01  0.166691D+01  0.159273D+01 -0.684054D+00  0.166813D+01
      3  -0.739393D+01 -0.262477D+01 -0.684054D+00  0.251740D+01 -0.807411D+00
                86            87            88            89            90 
      1   0.166813D+01 -0.807411D+00 -0.329825D+01 -0.644667D+00  0.272261D+01
      2   0.150204D+01 -0.152939D+01 -0.644667D+00 -0.168753D+01  0.184176D+01
      3  -0.152939D+01  0.186382D+01  0.272261D+01  0.184176D+01 -0.401903D+01
                91            92            93            94            95 
      1  -0.451362D+01 -0.295872D+01  0.136479D+01 -0.199848D+01 -0.191991D+01
      2  -0.295872D+01 -0.300397D+01  0.964602D+00 -0.191991D+01 -0.307619D+01
      3   0.136479D+01  0.964602D+00 -0.131977D+01  0.694791D+00  0.729516D+00
                96            97            98            99           100 
      1   0.694791D+00  0.290575D+01  0.213648D+01 -0.175688D+01 -0.463099D+01
      2   0.729516D+00  0.213648D+01  0.247369D+01 -0.145631D+01  0.292994D+01
      3  -0.898708D+00 -0.175688D+01 -0.145631D+01  0.154502D+01 -0.268860D+01
               101           102           103           104           105 
      1   0.292994D+01 -0.268860D+01  0.177555D+01 -0.152714D+01  0.758593D+00
      2  -0.255576D+01  0.149187D+01 -0.152714D+01  0.193041D+01 -0.904073D+00
      3   0.149187D+01 -0.207625D+01  0.758593D+00 -0.904073D+00  0.801670D+00
               106           107           108           109           110 
      1  -0.307069D+01  0.131239D+01 -0.201410D+01 -0.268602D+00  0.717958D+00
      2   0.131239D+01 -0.168378D+01  0.144068D+01  0.717958D+00 -0.473113D+00
      3  -0.201410D+01  0.144068D+01 -0.229506D+01  0.118349D+00 -0.443283D+00
               111           112           113           114           115 
      1   0.118349D+00  0.825861D+00 -0.385636D+00 -0.465830D+00  0.100179D+01
      2  -0.443283D+00 -0.385636D+00  0.244547D+01  0.110646D+01 -0.518888D+00
      3  -0.614673D-01 -0.465830D+00  0.110646D+01  0.176620D+01 -0.911979D-01
               116           117           118           119           120 
      1  -0.518888D+00 -0.911979D-01 -0.260380D+00 -0.866503D+00 -0.849764D+00
      2   0.282903D+01  0.168961D+01 -0.866503D+00 -0.919994D+00 -0.464616D+00
      3   0.168961D+01  0.340988D+01 -0.849764D+00 -0.464616D+00 -0.113787D+01
               121           122           123           124           125 
      1  -0.601633D+00 -0.375167D+00 -0.101580D+00 -0.108240D+01  0.840578D-01
      2  -0.375167D+00 -0.240972D+01 -0.213843D+01  0.840578D-01 -0.324636D+01
      3  -0.101580D+00 -0.213843D+01 -0.237113D+01 -0.592504D+00 -0.336271D+01
               126           127           128           129           130 
      1  -0.592504D+00  0.918594D+01 -0.336699D+01  0.854761D+00 -0.171620D+01
      2  -0.336271D+01 -0.336699D+01  0.262612D+01 -0.116062D+00  0.170298D+01
      3  -0.642136D+01  0.854761D+00 -0.116062D+00  0.103785D+01 -0.136988D+00
               131           132           133           134           135 
      1   0.170298D+01 -0.136988D+00  0.126197D+01 -0.484284D+00  0.105126D+01
      2  -0.122359D+01  0.241846D+00 -0.484284D+00  0.576941D+00 -0.967039D+00
      3   0.241846D+00 -0.525479D+00  0.105126D+01 -0.967039D+00  0.181032D+00
               136           137           138           139           140 
      1  -0.186537D+01 -0.116790D+01  0.130986D+01 -0.999582D+00 -0.100483D+01
      2  -0.116790D+01 -0.193249D+01  0.672008D+00 -0.100483D+01 -0.300589D+01
      3   0.130986D+01  0.672008D+00 -0.157915D+01  0.461586D+00  0.148992D+01
               141           142           143           144           145 
      1   0.461586D+00  0.150564D+01  0.469049D+00 -0.121366D+01  0.565102D+00
      2   0.148992D+01  0.469049D+00  0.265897D+01 -0.212974D+01  0.931793D+00
      3  -0.166985D+01 -0.121366D+01 -0.212974D+01  0.267043D+01  0.442943D+00
               146           147           148           149           150 
      1   0.931793D+00  0.442943D+00  0.130171D+01  0.289275D+00  0.469146D+00
      2  -0.108720D+00  0.177386D-01  0.289275D+00  0.871230D+01  0.154310D+01
      3   0.177386D-01 -0.347939D+00  0.469146D+00  0.154310D+01  0.165881D+01
               151           152           153           154           155 
      1   0.826809D-01  0.729120D-01 -0.329658D+00 -0.184668D+01 -0.846201D+00
      2   0.729120D-01  0.644652D+00  0.916864D+00 -0.846201D+00 -0.106786D+01
      3  -0.329658D+00  0.916864D+00  0.272169D+00  0.152445D+01  0.361856D+00
               156           157           158           159           160 
      1   0.152445D+01 -0.110675D+01 -0.681530D+00  0.257538D+00  0.152852D+01
      2   0.361856D+00 -0.681530D+00 -0.498845D+00  0.108242D+01  0.305103D+00
      3  -0.257864D+01  0.257538D+00  0.108242D+01 -0.199429D+01 -0.139439D+01
               161           162           163           164           165 
      1   0.305103D+00 -0.139439D+01  0.915620D+01 -0.677740D+00  0.333907D+01
      2   0.106125D+01 -0.100723D+01 -0.677740D+00  0.124858D+01 -0.196331D-01
      3  -0.100723D+01  0.492343D+01  0.333907D+01 -0.196331D-01  0.223179D+01
               166           167           168           169           170 
      1  -0.150605D+01  0.116966D+01 -0.575208D+00  0.202079D+01 -0.169975D+00
      2   0.116966D+01  0.106614D+00  0.527317D+00 -0.169975D+00  0.249315D+00
      3  -0.575208D+00  0.527317D+00 -0.904410D+00  0.174010D+01 -0.467109D+00
               171 
      1   0.174010D+01
      2  -0.467109D+00
      3   0.153088D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.591302D+01  0.151850D+01 -0.122418D+01  0.256517D-01 -0.103629D+02
      2   0.506320D+00 -0.226149D+01  0.129905D+02 -0.234326D+01 -0.292308D+01
      3  -0.865412D+01 -0.293544D+01 -0.332780D+01  0.212689D+01  0.126580D+02
                 6             7             8             9            10 
      1  -0.699474D+01 -0.125498D+01 -0.584319D+00  0.355933D+01  0.140583D+01
      2   0.504591D+01  0.684207D+01  0.592353D+01 -0.239373D+01  0.105525D+02
      3   0.188440D+01 -0.251471D+01  0.890590D-01 -0.398895D+01  0.519338D+01
                11            12            13            14            15 
      1  -0.178914D+00 -0.259224D+00 -0.128556D+01 -0.457670D+00 -0.388353D+01
      2  -0.296761D+00  0.499913D+00 -0.350819D+01  0.100422D+01 -0.418006D+01
      3  -0.127931D+01 -0.185177D+01  0.579122D+01 -0.657297D+01  0.449522D+00
                16            17            18            19            20 
      1  -0.857495D+00  0.333261D+01  0.139352D+01 -0.302705D+01 -0.222079D+01
      2  -0.403646D+01 -0.439913D+01 -0.288636D+01 -0.598912D+01  0.816953D+00
      3   0.249335D+01  0.237658D-01  0.506634D+01 -0.297827D+00 -0.245968D+01
                21            22            23            24            25 
      1  -0.752521D+00 -0.110017D+01  0.350261D+01 -0.293928D+01  0.703334D-01
      2   0.167917D+01  0.195637D+01 -0.871073D+00  0.207777D+01 -0.100743D+02
      3   0.167098D+01  0.354553D+01 -0.141136D+01  0.145050D+01 -0.232676D+01
                26            27            28            29            30 
      1   0.325689D+01 -0.476717D+01  0.123833D+01  0.501374D+01  0.179432D+01
      2   0.360290D+00 -0.314183D+00 -0.950604D+01 -0.301665D+01  0.203724D+01
      3   0.867716D+00  0.481845D+00 -0.857337D+01 -0.365469D+01  0.337545D+00
                31            32            33            34            35 
      1   0.254771D+01 -0.588033D+01 -0.138045D+01  0.143871D+01  0.796477D+00
      2   0.256003D+01  0.249942D+01 -0.137486D+01 -0.412135D+01 -0.182059D+01
      3   0.215478D+01  0.415670D+01 -0.540820D+01 -0.538956D+01 -0.106499D+02
                36            37            38            39            40 
      1   0.390504D+01 -0.292506D+01 -0.103334D+01 -0.237505D-01 -0.297399D+00
      2   0.113572D+02  0.475051D+01  0.353347D+01  0.102669D+00 -0.156911D+01
      3  -0.364348D+00 -0.160986D+01 -0.106089D-02  0.594589D+00  0.537069D+01
                41            42            43            44            45 
      1   0.825850D-01 -0.473783D+01  0.319316D+01  0.391005D+01 -0.472042D+01
      2   0.258528D+01  0.107068D+01 -0.470246D+01  0.100990D+01  0.484764D+01
      3  -0.671054D+01 -0.161535D+01  0.208688D+01 -0.471965D+00 -0.285004D+01
                46            47            48            49            50 
      1  -0.512060D+01 -0.551399D+00  0.505212D+01 -0.990087D+00  0.955060D+00
      2  -0.623967D+01  0.821169D+00  0.566549D+01  0.410114D+00  0.121427D+00
      3   0.526032D+01 -0.131162D+02  0.359606D+01 -0.613634D+01  0.208443D+01
                51            52            53            54            55 
      1   0.543146D+01  0.327259D+01  0.121531D+02  0.469257D+01 -0.379751D+01
      2   0.622003D+01  0.984023D+00  0.766683D+01  0.582629D+01  0.513874D+01
      3   0.912112D+00  0.415121D+01  0.149622D+00 -0.124199D+02  0.910182D+01
                56            57            58            59            60 
      1  -0.908424D-01 -0.508562D+01  0.218161D-01 -0.226459D+01  0.450402D+00
      2  -0.119230D+01  0.499415D+01  0.991942D-01  0.175169D+01 -0.348166D+00
      3  -0.975836D+01  0.621696D+01  0.204024D+01  0.297116D+01 -0.993137D+00
                61            62            63            64            65 
      1  -0.460325D+01  0.976506D+01  0.901844D+01  0.526017D+00 -0.390630D+01
      2  -0.276265D+00  0.730824D+00  0.193350D+01  0.177409D+00  0.192303D+01
      3   0.403468D+01 -0.129418D+01  0.407323D+01  0.343384D+01 -0.543592D+01
                66            67            68            69            70 
      1   0.645710D+00 -0.836209D+00  0.368437D+01 -0.154374D+01 -0.436012D+00
      2   0.528351D+01  0.383488D+00 -0.477461D+01 -0.213099D+01 -0.244074D+01
      3  -0.125695D+01  0.200650D+01  0.515110D+01  0.466227D+01  0.477358D+01
                71            72            73            74            75 
      1   0.718898D+01  0.115171D-01  0.147364D+01  0.453812D+00  0.449133D+00
      2  -0.293741D+01 -0.138216D+02  0.144083D-01 -0.746641D+00 -0.332137D+00
      3   0.819922D+01  0.277115D+01 -0.659714D-01 -0.105950D+01 -0.787994D+00
                76            77            78            79            80 
      1   0.258356D+00  0.251522D+01  0.135022D+01 -0.556426D-02  0.468848D+01
      2  -0.167749D+01 -0.410331D-01 -0.163945D+00 -0.275215D+01  0.329376D+00
      3   0.126480D+01 -0.510529D+00 -0.765149D+00  0.433788D+00 -0.610770D+00
                81            82            83            84            85 
      1   0.295438D+01 -0.597399D+00 -0.145399D+01 -0.351787D+00 -0.512269D+00
      2  -0.640186D-01 -0.130868D+01  0.101586D+00  0.364806D+01  0.154205D+01
      3  -0.109030D+01 -0.167615D+01 -0.357587D+01  0.551383D+00  0.255969D+00
                86            87            88            89            90 
      1  -0.101021D+01 -0.729293D+00 -0.127057D+00  0.231386D+01 -0.180915D+00
      2  -0.113572D+01  0.282029D+01 -0.720148D+00  0.245280D+01 -0.455604D+01
      3  -0.254660D+01  0.196641D+01 -0.995790D+00  0.304460D+01 -0.195951D+01
                91            92            93            94            95 
      1   0.286441D+01  0.190250D+01 -0.270071D+01  0.200806D+01  0.212028D+01
      2  -0.254848D+01 -0.276347D+01  0.311181D+01 -0.160714D+01 -0.210738D+01
      3   0.175506D+01 -0.210752D+01 -0.607533D+00  0.840317D+00 -0.217682D+01
                96            97            98            99           100 
      1  -0.189070D+01 -0.283521D+01 -0.167851D+01  0.293395D+01  0.296141D+01
      2   0.225202D+01  0.258675D+01  0.279580D+01 -0.401167D+01 -0.506208D+01
      3   0.361211D+00 -0.107420D+01  0.202558D+01 -0.386340D+00 -0.100165D+02
               101           102           103           104           105 
      1   0.185053D-01  0.383876D+01 -0.186548D+00 -0.132021D+00 -0.145719D+01
      2   0.220176D+01 -0.676721D+00  0.164454D+01 -0.128387D+01  0.185570D+00
      3   0.406009D+01 -0.572892D+01  0.477956D+01 -0.215946D+01  0.141081D+01
               106           107           108           109           110 
      1   0.294572D+01 -0.372295D+00  0.275006D+01 -0.100458D+01  0.137092D+01
      2  -0.350094D+01  0.815080D+00 -0.927339D+00  0.104777D-01  0.496314D+00
      3  -0.712389D+01  0.185072D+01 -0.390526D+01 -0.297802D+00  0.165390D+00
               111           112           113           114           115 
      1   0.986974D+00  0.142078D+01 -0.491038D+01 -0.607555D+01  0.969601D+00
      2   0.581265D-01  0.492502D+00 -0.892014D+00 -0.105302D+01 -0.122061D+01
      3   0.650180D+00  0.203222D+01 -0.545369D+00 -0.461649D+00  0.333064D+01
               116           117           118           119           120 
      1  -0.551223D+01 -0.120321D+02 -0.880163D+00  0.188799D+00 -0.239995D+01
      2  -0.107705D+01 -0.137305D+01 -0.217066D+01 -0.986240D+00 -0.153745D+01
      3  -0.162718D+00  0.328093D-02  0.309934D+01  0.221950D+01  0.216494D+01
               121           122           123           124           125 
      1  -0.137050D-01 -0.195339D+01 -0.475731D+01 -0.167563D+01 -0.167928D+01
      2  -0.103705D+01 -0.364607D+01 -0.378965D+01 -0.400914D+01 -0.497994D+01
      3   0.325859D+01  0.453903D+01  0.402640D+01  0.281242D+01  0.521555D+01
               126           127           128           129           130 
      1  -0.108039D+02  0.305633D+01 -0.856397D+00  0.267792D+01 -0.110234D+01
      2  -0.103835D+02  0.478614D+01 -0.117203D+01  0.472364D+01 -0.760239D+00
      3   0.739525D+01 -0.110592D+02 -0.196139D+01 -0.167738D+01  0.181804D+01
               131           132           133           134           135 
      1   0.853407D+00 -0.199157D+01  0.167202D+01 -0.837715D+00  0.866270D+00
      2   0.123927D+01 -0.153661D+01  0.137353D+01 -0.179891D+01  0.100481D+01
      3  -0.517707D+00 -0.246691D+00 -0.176265D+01 -0.647725D+00  0.430723D+00
               136           137           138           139           140 
      1   0.305990D+01  0.115444D+01 -0.399260D+01  0.150476D+01  0.319055D+01
      2   0.280336D+01  0.859933D+00 -0.143661D+01  0.117775D+01  0.222093D+01
      3   0.790397D+01  0.466752D+01 -0.412719D+01  0.584209D+01  0.665484D+01
               141           142           143           144           145 
      1  -0.511867D+01 -0.282069D+01 -0.279988D+01  0.637613D+01  0.808857D+00
      2  -0.217442D+01 -0.359236D+01 -0.321754D+01  0.358460D+01  0.106523D+01
      3  -0.406500D+01 -0.488664D+01 -0.499255D+01  0.643357D+01 -0.143074D+01
               146           147           148           149           150 
      1  -0.933408D+00  0.691209D+00 -0.107974D+01  0.115854D+02 -0.242095D+01
      2  -0.106580D+01 -0.607322D+00 -0.153106D+01  0.338495D+01  0.252727D+01
      3   0.600543D+00  0.797625D-01  0.388210D+01 -0.159943D+02 -0.160916D+01
               151           152           153           154           155 
      1   0.825835D+00  0.826543D+00  0.966998D+00 -0.255689D+01 -0.288820D+01
      2  -0.188952D+01  0.156530D+01  0.572483D+00  0.857888D+01  0.244244D+01
      3  -0.189077D+00 -0.712315D+00 -0.223343D+01  0.564761D+00  0.389803D+00
               156           157           158           159           160 
      1   0.188427D+01 -0.124489D+01 -0.193453D+01  0.163666D+01  0.188706D+01
      2  -0.616670D+01  0.280465D+01  0.305039D+01 -0.377720D+01 -0.751195D+01
      3   0.637128D+00  0.161497D+01  0.997052D-01 -0.154017D+01  0.370761D+00
               161           162           163           164           165 
      1   0.431738D+01 -0.458683D+01 -0.339849D+01  0.249236D+01 -0.123008D+01
      2  -0.280486D+01  0.109447D+02 -0.616575D+01  0.123666D+01  0.269107D+01
      3  -0.865352D+00  0.485089D+00  0.724734D+01 -0.554906D+01  0.192974D+01
               166           167           168           169           170 
      1   0.146833D+01 -0.515445D+00  0.323603D+00 -0.153743D+01  0.170602D+01
      2   0.962839D+00 -0.182730D+00 -0.167061D+01 -0.125144D+01 -0.738879D+00
      3  -0.217467D+01  0.955267D+00 -0.102985D+01  0.177596D+01 -0.105831D+01
               171 
      1  -0.140057D+01
      2   0.127091D+01
      3   0.205759D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.271404D+02  0.930607D+01 -0.223967D+02  0.113482D+02  0.114939D+02
      2   0.231799D+02 -0.315180D+01  0.479365D+01 -0.562088D+01 -0.172763D+02
      3   0.396056D+01 -0.615427D+01  0.176031D+02 -0.572731D+01  0.578243D+01
      4   0.351588D+01  0.497163D+01 -0.154103D+01  0.461488D+01 -0.197212D+02
      5  -0.238601D+02  0.504455D+01 -0.393780D+01  0.710015D+01 -0.111378D+01
      6   0.233477D+01  0.250002D+01  0.369272D-01  0.155527D+01 -0.109862D+02
                 6             7             8             9            10 
      1  -0.148717D+01 -0.180396D+02 -0.264046D+01  0.622855D+01  0.734633D+01
      2  -0.824502D+01  0.385385D+01 -0.618516D+01 -0.912566D+00 -0.260194D+01
      3   0.973219D+01  0.141858D+02  0.882562D+01 -0.531598D+01 -0.474438D+01
      4  -0.187492D+01 -0.635393D+00 -0.456637D-04  0.111907D+02 -0.115243D+02
      5   0.731940D+01 -0.837516D+00  0.842029D+01  0.717468D+01  0.154528D+02
      6   0.624999D+00  0.165945D+01  0.710399D+00  0.750143D+01  0.577187D+01
                11            12            13            14            15 
      1  -0.114582D+02  0.121015D+02 -0.953854D+01 -0.264087D+01  0.269093D+01
      2   0.102867D+02 -0.763366D+01  0.101085D+02 -0.298352D+01 -0.155134D+01
      3   0.117148D+01 -0.446786D+01 -0.569993D+00  0.562439D+01 -0.113959D+01
      4  -0.280900D+01  0.225056D+01 -0.541425D+01  0.105644D+02  0.405755D+01
      5   0.267310D+01 -0.103179D+02  0.583192D+00  0.674618D+01 -0.118683D+02
      6  -0.689904D+00 -0.801244D+00  0.918707D+00 -0.144984D+01 -0.159594D+01
                16            17            18            19            20 
      1   0.110191D+02  0.109413D+01 -0.113665D+02 -0.996067D+01 -0.408193D+01
      2  -0.702786D+01 -0.219349D+01  0.862156D+01  0.742233D+01  0.530615D+01
      3  -0.399125D+01  0.109936D+01  0.274494D+01  0.253834D+01 -0.122423D+01
      4  -0.574430D+00  0.781683D+00 -0.119542D+02  0.174795D+01 -0.184119D+01
      5  -0.113377D+02 -0.123730D+02  0.173276D+01 -0.528567D+01 -0.637593D+00
      6  -0.226137D+01 -0.261152D+00  0.157548D+01 -0.736804D+01 -0.360251D+01
                21            22            23            24            25 
      1   0.272373D+01  0.226545D+01  0.760190D+01  0.306810D+01  0.112790D+01
      2   0.165998D+01 -0.200048D+00 -0.848865D+01  0.613929D+01  0.116409D+01
      3  -0.438371D+01 -0.206540D+01  0.886751D+00 -0.920739D+01 -0.229199D+01
      4  -0.471373D+00 -0.666975D+01 -0.473876D+00  0.649136D+00  0.358692D+01
      5   0.801500D+00  0.331628D+01 -0.142706D+01  0.708529D+00  0.121460D+01
      6   0.181463D+01  0.885992D+00  0.677985D+01 -0.550392D+01 -0.201372D+00
                26            27            28            29            30 
      1   0.631407D+01  0.686368D+01 -0.239009D+01  0.226317D+01 -0.995744D+00
      2   0.328440D+01  0.104288D+02  0.217288D+01 -0.444206D+01 -0.652482D+01
      3  -0.959847D+01 -0.172925D+02  0.217209D+00  0.217889D+01  0.752056D+01
      4   0.917459D+00 -0.128129D+01  0.258473D+01 -0.304676D+01 -0.675081D+01
      5  -0.130641D+01 -0.478014D+01  0.634734D+01 -0.605301D+01 -0.409930D+01
      6   0.146540D+01 -0.495204D+01 -0.240500D+01  0.276040D+00  0.808618D+00
                31            32            33            34            35 
      1   0.404760D+01  0.399586D+01 -0.543568D+01  0.909082D+01 -0.445727D+01
      2  -0.521262D+01 -0.889280D+01  0.913296D+01 -0.797315D+01 -0.456735D+00
      3   0.116502D+01  0.489694D+01 -0.369729D+01 -0.111767D+01  0.491400D+01
      4  -0.590911D+01 -0.214047D+01 -0.251599D+01 -0.108399D+02  0.613822D+01
      5  -0.147725D+02 -0.158762D+01  0.337832D+01 -0.100440D+02  0.498030D+01
      6  -0.294629D+01 -0.558454D+01 -0.198799D+01 -0.161155D+00 -0.291741D+01
                36            37            38            39            40 
      1  -0.159523D-01  0.604191D+00  0.618314D+00  0.750966D+01 -0.117109D+01
      2   0.810080D+01 -0.130346D+01 -0.153014D+01 -0.210496D+01  0.118028D+01
      3  -0.808485D+01  0.699265D+00  0.911825D+00 -0.540469D+01 -0.918240D-02
      4   0.608103D+01 -0.526571D+01  0.197480D+00  0.101858D+02  0.748528D+01
      5   0.172480D+02  0.108648D+02  0.667284D+01  0.258938D+01  0.904985D+01
      6  -0.300731D+01  0.734704D+01  0.598377D+01 -0.120734D+01  0.589432D+01
                41            42            43            44            45 
      1  -0.136514D+02  0.223499D+01  0.107103D+02  0.472841D+01 -0.454727D+01
      2   0.241493D+02  0.671046D+00 -0.173718D+01  0.326914D+01 -0.768146D+00
      3  -0.104979D+02 -0.290604D+01 -0.897314D+01 -0.799755D+01  0.531542D+01
      4   0.118133D+02  0.837411D+01  0.166490D+02  0.145055D+02 -0.546226D+00
      5   0.879221D+01  0.295636D+01  0.312532D+01  0.283971D+01  0.105992D+02
      6   0.779875D+01  0.665852D+01 -0.137429D+01  0.670116D+01  0.829863D+01
                46            47            48            49            50 
      1  -0.266118D+02  0.203051D+02 -0.800528D+01  0.142553D+02  0.196264D+01
      2   0.645064D+01 -0.137651D+02  0.701774D+01 -0.116911D+02  0.821640D+01
      3   0.201612D+02 -0.654005D+01  0.987546D+00 -0.256426D+01 -0.101790D+02
      4   0.258062D+02 -0.710503D+01  0.639619D+01 -0.268988D+01 -0.128991D+02
      5  -0.512915D+01  0.504030D+00  0.783923D+01  0.167067D+00 -0.369447D+01
      6   0.521619D+01  0.117727D+01 -0.106433D+02  0.133620D+00  0.254758D+01
                51            52            53            54            55 
      1   0.153482D+01 -0.975350D+01  0.303265D+01  0.208655D+02  0.824018D+01
      2   0.425607D+01  0.696266D+01  0.431689D+01 -0.139147D+02 -0.385646D+01
      3  -0.579089D+01  0.279085D+01 -0.734954D+01 -0.695072D+01 -0.438371D+01
      4  -0.837342D+00  0.743157D+01  0.706061D+00  0.358291D+01  0.145644D+02
      5   0.998606D+01  0.732517D+01  0.108729D+02  0.831384D+01 -0.945483D+01
      6  -0.137979D+02 -0.797797D+01 -0.163858D+02 -0.115594D+02  0.115048D+02
                56            57            58            59            60 
      1   0.230965D+00 -0.181854D+01 -0.136614D+01 -0.182425D+02  0.525371D+01
      2   0.331285D+01  0.365142D+01  0.372163D+01  0.281290D+02 -0.101827D+02
      3  -0.354381D+01 -0.183288D+01 -0.235549D+01 -0.988642D+01  0.492898D+01
      4  -0.439453D+01  0.861086D+01  0.250029D+01  0.423485D+01 -0.106929D+01
      5   0.497215D+01 -0.315895D+01  0.148530D+01 -0.123765D+01  0.104782D+01
      6  -0.451511D+01  0.800812D+01 -0.334100D+01 -0.154627D+02  0.318523D+01
                61            62            63            64            65 
      1  -0.280186D+00  0.752339D+01 -0.556685D+01  0.231900D+02 -0.378552D+01
      2   0.375514D+01 -0.109948D+02 -0.865594D+01 -0.163063D+02  0.230681D+01
      3  -0.347495D+01  0.347137D+01  0.142228D+02 -0.688371D+01  0.147872D+01
      4   0.665086D+01  0.333219D+00  0.813629D+01 -0.863886D+01  0.129191D+02
      5  -0.126505D+01  0.339314D+01 -0.333757D+01 -0.166661D+02  0.629837D+01
      6   0.811331D+01  0.600338D+00 -0.133323D+02  0.319051D+01 -0.231460D+01
                66            67            68            69            70 
      1  -0.859856D+01 -0.716459D+01 -0.190341D+01  0.896857D+00 -0.108690D+02
      2   0.107581D+02  0.435138D+01  0.302195D+01 -0.500532D+01  0.101229D+02
      3  -0.215954D+01  0.281322D+01 -0.111853D+01  0.410847D+01  0.746159D+00
      4   0.534720D+01  0.116934D+02 -0.128432D+02 -0.790299D+01  0.603951D+01
      5   0.164463D+02  0.824181D+01 -0.782355D+01 -0.734918D+01  0.211496D+02
      6  -0.290159D+01 -0.358569D+01  0.458223D+01  0.986076D+01 -0.186462D+01
                71            72            73            74            75 
      1  -0.172147D+01 -0.403161D+01  0.460639D+00  0.420211D+00 -0.378802D+00
      2  -0.194512D+01 -0.217369D+02 -0.453716D+01 -0.854522D+00 -0.195942D+01
      3   0.366659D+01  0.257685D+02  0.407652D+01  0.434311D+00  0.233822D+01
      4  -0.125730D+02 -0.947141D+01  0.196852D+00  0.185071D+01  0.459903D+00
      5  -0.753612D+01 -0.293418D+02  0.217598D+01  0.144892D+01  0.642693D+01
      6   0.903385D+01  0.678609D+01  0.166363D+01  0.369944D+00  0.237587D+00
                76            77            78            79            80 
      1   0.304233D+00 -0.418459D+01 -0.423490D+01 -0.114083D+01 -0.271277D+01
      2  -0.803708D+00 -0.131677D+01 -0.363384D+01 -0.174601D+01 -0.427064D+01
      3   0.499475D+00  0.550136D+01  0.786874D+01  0.288684D+01  0.698341D+01
      4   0.207563D+01  0.502610D+00  0.551378D+00  0.235801D+00  0.917689D+00
      5   0.657049D+00  0.775068D+00  0.177838D+01  0.522009D+01  0.112730D+01
      6   0.502667D+00  0.373736D+01  0.714192D+01 -0.117418D+00  0.585120D+01
                81            82            83            84            85 
      1  -0.172293D+02  0.172383D+02  0.625672D+01 -0.979798D+01  0.588164D+01
      2  -0.165494D+02 -0.117159D+02 -0.438610D+01  0.772670D+01 -0.340437D+01
      3   0.337787D+02 -0.552243D+01 -0.187062D+01  0.207129D+01 -0.247727D+01
      4   0.396740D+00  0.956042D+01  0.836210D+01 -0.482773D+01  0.927624D+01
      5   0.577269D+01 -0.163666D+02 -0.516475D+01  0.147876D+02 -0.528628D+01
      6   0.352540D+01 -0.397335D+01 -0.266507D+01  0.314770D+01 -0.371796D+01
                86            87            88            89            90 
      1   0.311345D+01 -0.198251D+01 -0.803025D+01 -0.141917D+01  0.484134D+01
      2  -0.597120D+00  0.141376D+01  0.846632D+01  0.314806D+01 -0.114076D+02
      3  -0.251633D+01  0.568749D+00 -0.436069D+00 -0.172889D+01  0.656628D+01
      4   0.749581D+01 -0.664818D+01 -0.421118D+01 -0.590092D+01  0.737917D+01
      5  -0.716537D+01  0.788864D+01  0.157580D+02  0.773574D+01 -0.193676D+02
      6  -0.474203D+01  0.599897D+01  0.347710D+01  0.529769D+01 -0.620812D+01
                91            92            93            94            95 
      1   0.180418D+02  0.928341D+01 -0.578393D+01  0.381517D+01  0.217385D+01
      2  -0.495302D+01  0.216070D-01  0.172080D+01  0.227939D+01  0.565851D+01
      3  -0.130887D+02 -0.930501D+01  0.406313D+01 -0.609456D+01 -0.783235D+01
      4   0.198901D+02  0.162543D+02 -0.624213D+01  0.119674D+02  0.140856D+02
      5  -0.702667D+01 -0.436456D+01  0.595171D+01 -0.251517D+01 -0.292143D+01
      6  -0.478814D+01 -0.319343D+01  0.339114D+01 -0.257190D+01 -0.345450D+01
                96            97            98            99           100 
      1  -0.617623D+00 -0.861317D+01 -0.415842D+01  0.319703D+01  0.284731D+01
      2  -0.138386D+01  0.220541D+01 -0.149103D+01 -0.811968D+00  0.178885D+00
      3   0.200148D+01  0.640776D+01  0.564944D+01 -0.238506D+01 -0.302620D+01
      4  -0.421863D+01 -0.131403D+02 -0.123072D+02  0.837564D+01 -0.194478D+02
      5   0.296177D+01  0.844411D+01  0.634205D+01 -0.690863D+01  0.139894D+02
      6   0.334308D+01  0.634606D+01  0.640761D+01 -0.607068D+01 -0.139441D+02
               101           102           103           104           105 
      1   0.217663D+01 -0.466698D+00  0.137364D+01 -0.319891D+01  0.179568D+01
      2  -0.566048D+01 -0.107548D+01 -0.426106D+01  0.637957D+01 -0.263051D+01
      3   0.348385D+01  0.154218D+01  0.288742D+01 -0.318066D+01  0.834825D+00
      4   0.152540D+02 -0.115512D+02  0.108703D+02 -0.761833D+01  0.400727D+01
      5  -0.844156D+01  0.107169D+02 -0.434320D+01  0.431695D+01 -0.226680D+01
      6   0.101127D+02 -0.106381D+02  0.589449D+01 -0.670495D+01  0.608712D+01
               106           107           108           109           110 
      1  -0.915510D+00  0.316495D+01 -0.314435D+01 -0.130293D+01 -0.615242D-01
      2  -0.184578D+01 -0.194193D+01 -0.152514D+01  0.215999D+01 -0.279482D+01
      3   0.276129D+01 -0.122302D+01  0.466949D+01 -0.857057D+00  0.285634D+01
      4  -0.112472D+02  0.527380D+01 -0.790194D+01 -0.153251D+01  0.439067D+01
      5   0.102361D+02 -0.498696D+01  0.820830D+01 -0.309964D+00 -0.608701D+00
      6  -0.949709D+01  0.875896D+01 -0.101111D+02 -0.204958D+00 -0.192180D+01
               111           112           113           114           115 
      1   0.152208D+01 -0.528205D+00 -0.594668D+01 -0.179672D+01  0.399132D+00
      2  -0.211718D+01 -0.180042D+01  0.125693D+02  0.723391D+01 -0.230596D+01
      3   0.595102D+00  0.232862D+01 -0.662258D+01 -0.543718D+01  0.190683D+01
      4   0.325178D+00  0.444572D+01 -0.324994D+01 -0.247849D+01  0.318160D+01
      5   0.202298D+01 -0.586143D+00 -0.111525D+01 -0.113483D+01  0.102602D+01
      6  -0.244438D+00 -0.184210D+01  0.470466D+01  0.862740D+01 -0.439559D+00
               116           117           118           119           120 
      1  -0.624274D+01 -0.317154D+01 -0.405620D+00 -0.601954D+01 -0.443761D+01
      2   0.135647D+02  0.893144D+01  0.332938D+00  0.492475D+01  0.143041D+01
      3  -0.732199D+01 -0.575990D+01  0.726814D-01  0.109479D+01  0.300720D+01
      4  -0.417827D+01 -0.142705D+01 -0.981665D+00  0.214509D+01  0.226041D+01
      5  -0.798779D+00 -0.217042D+01 -0.912651D+00  0.516357D+00  0.951413D+00
      6   0.757072D+01  0.139006D+02  0.349831D+01  0.266893D+01  0.509747D+01
               121           122           123           124           125 
      1  -0.315974D+01 -0.109583D+02 -0.835856D+01 -0.390430D+01 -0.108347D+02
      2   0.248078D+01  0.110902D+02  0.727244D+01  0.101854D+01  0.871530D+01
      3   0.678965D+00 -0.131975D+00  0.108611D+01  0.288576D+01  0.211941D+01
      4   0.305125D+01 -0.429925D+01 -0.449112D+01  0.460083D+01 -0.760604D+01
      5   0.957974D+00 -0.547271D+01 -0.657600D+01  0.295155D+01 -0.951502D+01
      6   0.957946D+00  0.124019D+02  0.150313D+02  0.205072D+01  0.182153D+02
               126           127           128           129           130 
      1  -0.188161D+02  0.495416D+02 -0.125186D+02  0.418895D+01 -0.599007D+01
      2   0.190916D+01 -0.186629D+02 -0.928697D+00 -0.197456D+01 -0.247627D+01
      3   0.169069D+02 -0.308787D+02  0.134472D+02 -0.221440D+01  0.846634D+01
      4  -0.561445D+01 -0.388838D+02  0.222487D+02 -0.287659D+01  0.159719D+02
      5  -0.175705D+02  0.377187D+00  0.580436D+00  0.765903D+01 -0.263055D-01
      6   0.269826D+02 -0.191105D+01 -0.298950D+00 -0.407736D+01  0.265854D+00
               131           132           133           134           135 
      1   0.581840D+01 -0.235221D+00  0.589690D+01 -0.161213D+01  0.320287D+01
      2   0.195706D+01 -0.103158D+01 -0.215292D+01 -0.131238D+01 -0.124839D+01
      3  -0.777545D+01  0.126680D+01 -0.374398D+01  0.292452D+01 -0.195449D+01
      4  -0.107213D+02  0.166721D+01 -0.572657D+01  0.373416D+01 -0.525545D+01
      5   0.692304D+00 -0.204319D+01  0.771278D+01 -0.407050D+01  0.153573D+01
      6  -0.670859D+00  0.345417D+01 -0.359971D+01  0.460515D+01 -0.489903D+00
               136           137           138           139           140 
      1  -0.252680D+01 -0.896168D+01  0.515088D+01 -0.642903D+01 -0.123117D+02
      2   0.442704D+01  0.104209D+02 -0.409880D+01  0.686424D+01  0.174756D+02
      3  -0.190024D+01 -0.145919D+01 -0.105208D+01 -0.435214D+00 -0.516391D+01
      4   0.395447D+01  0.160986D+01 -0.361730D+01  0.370124D+01 -0.177020D+01
      5   0.139806D+01  0.655388D+00 -0.220534D+01  0.776121D+00  0.310716D+01
      6  -0.504615D+01 -0.363486D+01  0.686516D+01 -0.298048D+01 -0.831681D+01
               141           142           143           144           145 
      1   0.599589D+01  0.581802D+01  0.824612D+01 -0.115833D+02  0.187980D+01
      2  -0.852334D+01 -0.399912D+01 -0.117355D+02  0.772494D+01  0.343480D+00
      3   0.252746D+01 -0.181890D+01  0.348941D+01  0.385836D+01 -0.222328D+01
      4   0.395567D+00 -0.507004D+01  0.322371D+01  0.153856D+00  0.307957D+01
      5  -0.395796D+01 -0.103951D+01 -0.482362D+01  0.516228D+01  0.259124D+01
      6   0.963079D+01  0.518195D+01  0.112760D+02 -0.116797D+02  0.127172D+01
               146           147           148           149           150 
      1   0.334271D+01  0.301187D+01  0.355806D+01 -0.161663D+02 -0.348783D+01
      2  -0.172896D+01 -0.542294D+00 -0.147215D+01  0.289658D+02  0.139640D+01
      3  -0.161374D+01 -0.246957D+01 -0.208591D+01 -0.127995D+02  0.209143D+01
      4   0.492764D+01  0.651032D+00  0.721942D+01  0.285827D+02  0.610080D+01
      5   0.148792D+01  0.132921D+01  0.365136D+01  0.460109D+01  0.527832D+01
      6  -0.440460D+00 -0.248906D+00  0.168096D+01  0.197100D+02  0.949151D+01
               151           152           153           154           155 
      1   0.708268D+00 -0.312702D+01 -0.444657D+01 -0.366494D+01 -0.284142D+01
      2   0.261115D+00  0.107765D+01  0.287009D+01 -0.321367D+01 -0.263451D+00
      3  -0.969384D+00  0.204937D+01  0.157647D+01  0.687861D+01  0.310487D+01
      4   0.887541D-01  0.177195D+01  0.230950D+01 -0.215340D+01 -0.220386D+01
      5   0.124007D+01  0.275344D+01  0.191661D+00 -0.232865D+01 -0.197494D+01
      6  -0.214499D+00  0.785430D+01  0.283864D+01 -0.170752D+01 -0.366859D+01
               156           157           158           159           160 
      1   0.107581D+02 -0.369330D+01 -0.566645D+01  0.463021D+01  0.888867D+01
      2   0.304071D+01  0.805053D+00  0.187238D+01  0.378447D+01  0.118269D+01
      3  -0.137988D+02  0.288825D+01  0.379407D+01 -0.841468D+01 -0.100714D+02
      4   0.121961D+01 -0.106055D+01 -0.613813D+00  0.223146D+01  0.200416D+01
      5   0.378261D+00 -0.273861D+01  0.302236D+00 -0.354962D+01  0.384150D+01
      6   0.303547D+00 -0.237065D+01 -0.265176D+01  0.488571D+01  0.699255D+00
               161           162           163           164           165 
      1   0.355723D+01 -0.167512D+02  0.520946D+02 -0.412856D+01  0.140805D+02
      2   0.263331D+01 -0.107298D+02 -0.332580D+02  0.275318D+01 -0.129520D+02
      3  -0.619054D+01  0.274810D+02 -0.188366D+02  0.137538D+01 -0.112850D+01
      4   0.287245D+01 -0.355489D+01  0.378729D+01  0.784288D+01  0.203218D+01
      5  -0.781377D+00  0.519097D+01  0.329191D+02 -0.174813D+01  0.192720D+02
      6   0.497990D+01 -0.182496D+01 -0.450509D+00  0.385658D+01  0.105138D+01
               166           167           168           169           170 
      1  -0.798183D+01  0.432864D+01 -0.170553D+01  0.870359D+01  0.246645D-01
      2   0.549777D+01 -0.116487D+01  0.336824D+01 -0.938836D+01  0.127676D+01
      3   0.248406D+01 -0.316377D+01 -0.166271D+01  0.684769D+00 -0.130142D+01
      4   0.748170D+01 -0.668811D+00  0.277800D+01  0.975985D+00  0.138959D+01
      5  -0.571796D+01  0.422569D+01 -0.455772D+01  0.158900D+02 -0.201324D+01
      6   0.344176D+01 -0.377338D+00  0.231741D+01  0.441033D+00  0.181017D+01
               171 
      1   0.650281D+01
      2  -0.929493D+01
      3   0.279213D+01
      4  -0.598950D+00
      5   0.111221D+02
      6  -0.312479D+00
 Leave Link  716 at Thu Aug 12 21:54:44 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.806111D+02  0.259831D+00 -0.122447D+01
      2   0.259831D+00  0.815737D+02  0.186081D+01
      3  -0.122447D+01  0.186081D+01  0.734531D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.188374D+01 -0.246768D+01 -0.133805D+01
      2   0.138339D+02 -0.257465D+01  0.255496D+02
      3   0.112887D+02 -0.271912D+02  0.307834D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.769577D+02 -0.252576D+02  0.268042D+02
      2  -0.386353D+02  0.120990D+02 -0.223886D+02
      3  -0.383225D+02  0.131586D+02 -0.441555D+01
      4  -0.155146D+02  0.363912D+02  0.334916D+01
      5   0.196283D+02  0.288843D+01  0.398615D+02
      6   0.825382D+01 -0.147661D+02  0.798371D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.605423D+01  0.218678D+01 -0.367771D+01  0.262202D+01  0.926651D+00
      2   0.218678D+01  0.104477D+01 -0.134086D-01  0.926651D+00 -0.637126D+01
      3  -0.367771D+01 -0.134086D-01  0.183882D+01  0.280100D+00 -0.775912D+00
                 6             7             8             9            10 
      1   0.280100D+00 -0.279960D+01  0.133132D+00  0.240738D+01  0.570376D+01
      2  -0.775912D+00  0.133132D+00 -0.129771D+00  0.307926D+01 -0.340558D+01
      3   0.269763D+01  0.240738D+01  0.307926D+01  0.517961D+00  0.317112D+01
                11            12            13            14            15 
      1  -0.340558D+01  0.317112D+01 -0.455396D+01 -0.177767D+01  0.650212D+00
      2  -0.106809D+01  0.118437D+00 -0.177767D+01  0.382768D+01  0.108183D+01
      3   0.118437D+00 -0.266282D+01  0.650212D+00  0.108183D+01 -0.371521D+01
                16            17            18            19            20 
      1   0.549510D+01  0.121333D+00 -0.320492D+01 -0.618441D+01  0.429215D+01
      2   0.121333D+00  0.965366D+00 -0.417380D+01  0.429215D+01  0.135492D+01
      3  -0.320492D+01 -0.417380D+01 -0.814377D+00 -0.206830D+01 -0.733250D+00
                21            22            23            24            25 
      1  -0.206830D+01  0.247058D+01  0.977159D+00 -0.273271D-01 -0.317737D+01
      2  -0.733250D+00  0.977159D+00 -0.170441D+01  0.732017D+00 -0.105923D+01
      3   0.116465D+01 -0.273271D-01  0.732017D+00  0.285879D+01  0.133181D+01
                26            27            28            29            30 
      1  -0.105923D+01  0.133181D+01  0.551974D+00 -0.211258D+01 -0.104925D+00
      2  -0.705198D+00  0.332572D+01 -0.211258D+01  0.680533D+00  0.117539D+01
      3   0.332572D+01  0.383164D+01 -0.104925D+00  0.117539D+01  0.206703D+00
                31            32            33            34            35 
      1  -0.156439D+01 -0.495395D+00  0.180257D+01 -0.248878D+01  0.165336D+01
      2  -0.495395D+00 -0.681152D+00  0.604560D+00  0.165336D+01  0.478277D-01
      3   0.180257D+01  0.604560D+00 -0.273335D+01  0.698148D+00 -0.241611D+01
                36            37            38            39            40 
      1   0.698148D+00  0.259709D+01  0.534065D+00 -0.234046D+01 -0.996437D-01
      2  -0.241611D+01  0.534065D+00  0.130110D+01 -0.121012D+01  0.519415D+00
      3  -0.290053D+01 -0.234046D+01 -0.121012D+01  0.864300D+00 -0.144384D+01
                41            42            43            44            45 
      1   0.519415D+00 -0.144384D+01 -0.358469D+01 -0.248408D+01  0.397523D+00
      2  -0.359993D+01 -0.190119D+01 -0.248408D+01 -0.344957D+01 -0.346279D+00
      3  -0.190119D+01  0.271843D+00  0.397523D+00 -0.346279D+00 -0.248873D+01
                46            47            48            49            50 
      1  -0.614202D+01  0.316826D+01 -0.206287D+01  0.220580D+01  0.193275D+01
      2   0.316826D+01  0.140426D+01  0.525725D-01  0.193275D+01 -0.289619D+01
      3  -0.206287D+01  0.525725D-01  0.263327D+01 -0.208530D+00 -0.461903D+00
                51            52            53            54            55 
      1  -0.208530D+00 -0.240703D+01 -0.107264D-01  0.236582D+01  0.435316D+01
      2  -0.461903D+00 -0.107264D-01 -0.392349D-02  0.428254D+01 -0.188997D+01
      3   0.373314D+01  0.236582D+01  0.428254D+01  0.302633D+01  0.239334D+01
                56            57            58            59            60 
      1  -0.188997D+01  0.239334D+01 -0.873415D+00  0.573879D+00 -0.408666D+00
      2   0.181578D+01 -0.399316D+00  0.573879D+00  0.418777D+01 -0.168687D+01
      3  -0.399316D+00  0.177468D+01 -0.408666D+00 -0.168687D+01 -0.128124D+01
                61            62            63            64            65 
      1   0.247535D+01 -0.448566D+00  0.159591D+01 -0.392208D+01  0.176182D+01
      2  -0.448566D+00 -0.194733D+01 -0.845970D+00  0.176182D+01 -0.175280D+01
      3   0.159591D+01 -0.845970D+00 -0.317548D+01  0.296842D+01 -0.702368D+00
                66            67            68            69            70 
      1   0.296842D+01  0.276167D+01 -0.131941D+01 -0.101811D+01  0.466901D+01
      2  -0.702368D+00 -0.131941D+01  0.377132D+01  0.188196D+01 -0.516005D+00
      3  -0.183080D+01 -0.101811D+01  0.188196D+01  0.228906D+01 -0.273289D+01
                71            72            73            74            75 
      1  -0.516005D+00 -0.273289D+01  0.309132D+00 -0.897509D+00 -0.106972D+01
      2   0.303626D+01  0.216021D+01 -0.897509D+00 -0.185999D+00 -0.683609D-01
      3   0.216021D+01  0.759973D+01 -0.106972D+01 -0.683609D-01 -0.674760D+00
                76            77            78            79            80 
      1  -0.121153D+01 -0.273204D+00 -0.181058D+00 -0.103779D+01  0.485990D-01
      2  -0.273204D+00 -0.101643D+01 -0.162317D+01  0.485990D-01 -0.168985D+01
      3  -0.181058D+00 -0.162317D+01 -0.184730D+01 -0.980360D+00 -0.156435D+01
                81            82            83            84            85 
      1  -0.980360D+00  0.326600D+01  0.166691D+01 -0.262477D+01  0.226845D+01
      2  -0.156435D+01  0.166691D+01  0.159273D+01 -0.684054D+00  0.166813D+01
      3  -0.739393D+01 -0.262477D+01 -0.684054D+00  0.251740D+01 -0.807411D+00
                86            87            88            89            90 
      1   0.166813D+01 -0.807411D+00 -0.329825D+01 -0.644667D+00  0.272261D+01
      2   0.150204D+01 -0.152939D+01 -0.644667D+00 -0.168753D+01  0.184176D+01
      3  -0.152939D+01  0.186382D+01  0.272261D+01  0.184176D+01 -0.401903D+01
                91            92            93            94            95 
      1  -0.451362D+01 -0.295872D+01  0.136479D+01 -0.199848D+01 -0.191991D+01
      2  -0.295872D+01 -0.300397D+01  0.964602D+00 -0.191991D+01 -0.307619D+01
      3   0.136479D+01  0.964602D+00 -0.131977D+01  0.694791D+00  0.729516D+00
                96            97            98            99           100 
      1   0.694791D+00  0.290575D+01  0.213648D+01 -0.175688D+01 -0.463099D+01
      2   0.729516D+00  0.213648D+01  0.247369D+01 -0.145631D+01  0.292994D+01
      3  -0.898708D+00 -0.175688D+01 -0.145631D+01  0.154502D+01 -0.268860D+01
               101           102           103           104           105 
      1   0.292994D+01 -0.268860D+01  0.177555D+01 -0.152714D+01  0.758593D+00
      2  -0.255576D+01  0.149187D+01 -0.152714D+01  0.193041D+01 -0.904073D+00
      3   0.149187D+01 -0.207625D+01  0.758593D+00 -0.904073D+00  0.801670D+00
               106           107           108           109           110 
      1  -0.307069D+01  0.131239D+01 -0.201410D+01 -0.268602D+00  0.717958D+00
      2   0.131239D+01 -0.168378D+01  0.144068D+01  0.717958D+00 -0.473113D+00
      3  -0.201410D+01  0.144068D+01 -0.229506D+01  0.118349D+00 -0.443283D+00
               111           112           113           114           115 
      1   0.118349D+00  0.825861D+00 -0.385636D+00 -0.465830D+00  0.100179D+01
      2  -0.443283D+00 -0.385636D+00  0.244547D+01  0.110646D+01 -0.518888D+00
      3  -0.614673D-01 -0.465830D+00  0.110646D+01  0.176620D+01 -0.911979D-01
               116           117           118           119           120 
      1  -0.518888D+00 -0.911979D-01 -0.260380D+00 -0.866503D+00 -0.849764D+00
      2   0.282903D+01  0.168961D+01 -0.866503D+00 -0.919994D+00 -0.464616D+00
      3   0.168961D+01  0.340988D+01 -0.849764D+00 -0.464616D+00 -0.113787D+01
               121           122           123           124           125 
      1  -0.601633D+00 -0.375167D+00 -0.101580D+00 -0.108240D+01  0.840578D-01
      2  -0.375167D+00 -0.240972D+01 -0.213843D+01  0.840578D-01 -0.324636D+01
      3  -0.101580D+00 -0.213843D+01 -0.237113D+01 -0.592504D+00 -0.336271D+01
               126           127           128           129           130 
      1  -0.592504D+00  0.918594D+01 -0.336699D+01  0.854761D+00 -0.171620D+01
      2  -0.336271D+01 -0.336699D+01  0.262612D+01 -0.116062D+00  0.170298D+01
      3  -0.642136D+01  0.854761D+00 -0.116062D+00  0.103785D+01 -0.136988D+00
               131           132           133           134           135 
      1   0.170298D+01 -0.136988D+00  0.126197D+01 -0.484284D+00  0.105126D+01
      2  -0.122359D+01  0.241846D+00 -0.484284D+00  0.576941D+00 -0.967039D+00
      3   0.241846D+00 -0.525479D+00  0.105126D+01 -0.967039D+00  0.181032D+00
               136           137           138           139           140 
      1  -0.186537D+01 -0.116790D+01  0.130986D+01 -0.999582D+00 -0.100483D+01
      2  -0.116790D+01 -0.193249D+01  0.672008D+00 -0.100483D+01 -0.300589D+01
      3   0.130986D+01  0.672008D+00 -0.157915D+01  0.461586D+00  0.148992D+01
               141           142           143           144           145 
      1   0.461586D+00  0.150564D+01  0.469049D+00 -0.121366D+01  0.565102D+00
      2   0.148992D+01  0.469049D+00  0.265897D+01 -0.212974D+01  0.931793D+00
      3  -0.166985D+01 -0.121366D+01 -0.212974D+01  0.267043D+01  0.442943D+00
               146           147           148           149           150 
      1   0.931793D+00  0.442943D+00  0.130171D+01  0.289275D+00  0.469146D+00
      2  -0.108720D+00  0.177386D-01  0.289275D+00  0.871230D+01  0.154310D+01
      3   0.177386D-01 -0.347939D+00  0.469146D+00  0.154310D+01  0.165881D+01
               151           152           153           154           155 
      1   0.826809D-01  0.729120D-01 -0.329658D+00 -0.184668D+01 -0.846201D+00
      2   0.729120D-01  0.644652D+00  0.916864D+00 -0.846201D+00 -0.106786D+01
      3  -0.329658D+00  0.916864D+00  0.272169D+00  0.152445D+01  0.361856D+00
               156           157           158           159           160 
      1   0.152445D+01 -0.110675D+01 -0.681530D+00  0.257538D+00  0.152852D+01
      2   0.361856D+00 -0.681530D+00 -0.498845D+00  0.108242D+01  0.305103D+00
      3  -0.257864D+01  0.257538D+00  0.108242D+01 -0.199429D+01 -0.139439D+01
               161           162           163           164           165 
      1   0.305103D+00 -0.139439D+01  0.915620D+01 -0.677740D+00  0.333907D+01
      2   0.106125D+01 -0.100723D+01 -0.677740D+00  0.124858D+01 -0.196331D-01
      3  -0.100723D+01  0.492343D+01  0.333907D+01 -0.196331D-01  0.223179D+01
               166           167           168           169           170 
      1  -0.150605D+01  0.116966D+01 -0.575208D+00  0.202079D+01 -0.169975D+00
      2   0.116966D+01  0.106614D+00  0.527317D+00 -0.169975D+00  0.249315D+00
      3  -0.575208D+00  0.527317D+00 -0.904410D+00  0.174010D+01 -0.467109D+00
               171 
      1   0.174010D+01
      2  -0.467109D+00
      3   0.153088D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.591302D+01  0.151850D+01 -0.122418D+01  0.256517D-01 -0.103629D+02
      2   0.506320D+00 -0.226149D+01  0.129905D+02 -0.234326D+01 -0.292308D+01
      3  -0.865412D+01 -0.293544D+01 -0.332780D+01  0.212689D+01  0.126580D+02
                 6             7             8             9            10 
      1  -0.699474D+01 -0.125498D+01 -0.584319D+00  0.355933D+01  0.140583D+01
      2   0.504591D+01  0.684207D+01  0.592353D+01 -0.239373D+01  0.105525D+02
      3   0.188440D+01 -0.251471D+01  0.890590D-01 -0.398895D+01  0.519338D+01
                11            12            13            14            15 
      1  -0.178914D+00 -0.259224D+00 -0.128556D+01 -0.457670D+00 -0.388353D+01
      2  -0.296761D+00  0.499913D+00 -0.350819D+01  0.100422D+01 -0.418006D+01
      3  -0.127931D+01 -0.185177D+01  0.579122D+01 -0.657297D+01  0.449522D+00
                16            17            18            19            20 
      1  -0.857495D+00  0.333261D+01  0.139352D+01 -0.302705D+01 -0.222079D+01
      2  -0.403646D+01 -0.439913D+01 -0.288636D+01 -0.598912D+01  0.816953D+00
      3   0.249335D+01  0.237658D-01  0.506634D+01 -0.297827D+00 -0.245968D+01
                21            22            23            24            25 
      1  -0.752521D+00 -0.110017D+01  0.350261D+01 -0.293928D+01  0.703334D-01
      2   0.167917D+01  0.195637D+01 -0.871073D+00  0.207777D+01 -0.100743D+02
      3   0.167098D+01  0.354553D+01 -0.141136D+01  0.145050D+01 -0.232676D+01
                26            27            28            29            30 
      1   0.325689D+01 -0.476717D+01  0.123833D+01  0.501374D+01  0.179432D+01
      2   0.360290D+00 -0.314183D+00 -0.950604D+01 -0.301665D+01  0.203724D+01
      3   0.867716D+00  0.481845D+00 -0.857337D+01 -0.365469D+01  0.337545D+00
                31            32            33            34            35 
      1   0.254771D+01 -0.588033D+01 -0.138045D+01  0.143871D+01  0.796477D+00
      2   0.256003D+01  0.249942D+01 -0.137486D+01 -0.412135D+01 -0.182059D+01
      3   0.215478D+01  0.415670D+01 -0.540820D+01 -0.538956D+01 -0.106499D+02
                36            37            38            39            40 
      1   0.390504D+01 -0.292506D+01 -0.103334D+01 -0.237505D-01 -0.297399D+00
      2   0.113572D+02  0.475051D+01  0.353347D+01  0.102669D+00 -0.156911D+01
      3  -0.364348D+00 -0.160986D+01 -0.106089D-02  0.594589D+00  0.537069D+01
                41            42            43            44            45 
      1   0.825850D-01 -0.473783D+01  0.319316D+01  0.391005D+01 -0.472042D+01
      2   0.258528D+01  0.107068D+01 -0.470246D+01  0.100990D+01  0.484764D+01
      3  -0.671054D+01 -0.161535D+01  0.208688D+01 -0.471965D+00 -0.285004D+01
                46            47            48            49            50 
      1  -0.512060D+01 -0.551399D+00  0.505212D+01 -0.990087D+00  0.955060D+00
      2  -0.623967D+01  0.821169D+00  0.566549D+01  0.410114D+00  0.121427D+00
      3   0.526032D+01 -0.131162D+02  0.359606D+01 -0.613634D+01  0.208443D+01
                51            52            53            54            55 
      1   0.543146D+01  0.327259D+01  0.121531D+02  0.469257D+01 -0.379751D+01
      2   0.622003D+01  0.984023D+00  0.766683D+01  0.582629D+01  0.513874D+01
      3   0.912112D+00  0.415121D+01  0.149622D+00 -0.124199D+02  0.910182D+01
                56            57            58            59            60 
      1  -0.908424D-01 -0.508562D+01  0.218161D-01 -0.226459D+01  0.450402D+00
      2  -0.119230D+01  0.499415D+01  0.991942D-01  0.175169D+01 -0.348166D+00
      3  -0.975836D+01  0.621696D+01  0.204024D+01  0.297116D+01 -0.993137D+00
                61            62            63            64            65 
      1  -0.460325D+01  0.976506D+01  0.901844D+01  0.526017D+00 -0.390630D+01
      2  -0.276265D+00  0.730824D+00  0.193350D+01  0.177409D+00  0.192303D+01
      3   0.403468D+01 -0.129418D+01  0.407323D+01  0.343384D+01 -0.543592D+01
                66            67            68            69            70 
      1   0.645710D+00 -0.836209D+00  0.368437D+01 -0.154374D+01 -0.436012D+00
      2   0.528351D+01  0.383488D+00 -0.477461D+01 -0.213099D+01 -0.244074D+01
      3  -0.125695D+01  0.200650D+01  0.515110D+01  0.466227D+01  0.477358D+01
                71            72            73            74            75 
      1   0.718898D+01  0.115171D-01  0.147364D+01  0.453812D+00  0.449133D+00
      2  -0.293741D+01 -0.138216D+02  0.144083D-01 -0.746641D+00 -0.332137D+00
      3   0.819922D+01  0.277115D+01 -0.659714D-01 -0.105950D+01 -0.787994D+00
                76            77            78            79            80 
      1   0.258356D+00  0.251522D+01  0.135022D+01 -0.556426D-02  0.468848D+01
      2  -0.167749D+01 -0.410331D-01 -0.163945D+00 -0.275215D+01  0.329376D+00
      3   0.126480D+01 -0.510529D+00 -0.765149D+00  0.433788D+00 -0.610770D+00
                81            82            83            84            85 
      1   0.295438D+01 -0.597399D+00 -0.145399D+01 -0.351787D+00 -0.512269D+00
      2  -0.640186D-01 -0.130868D+01  0.101586D+00  0.364806D+01  0.154205D+01
      3  -0.109030D+01 -0.167615D+01 -0.357587D+01  0.551383D+00  0.255969D+00
                86            87            88            89            90 
      1  -0.101021D+01 -0.729293D+00 -0.127057D+00  0.231386D+01 -0.180915D+00
      2  -0.113572D+01  0.282029D+01 -0.720148D+00  0.245280D+01 -0.455604D+01
      3  -0.254660D+01  0.196641D+01 -0.995790D+00  0.304460D+01 -0.195951D+01
                91            92            93            94            95 
      1   0.286441D+01  0.190250D+01 -0.270071D+01  0.200806D+01  0.212028D+01
      2  -0.254848D+01 -0.276347D+01  0.311181D+01 -0.160714D+01 -0.210738D+01
      3   0.175506D+01 -0.210752D+01 -0.607533D+00  0.840317D+00 -0.217682D+01
                96            97            98            99           100 
      1  -0.189070D+01 -0.283521D+01 -0.167851D+01  0.293395D+01  0.296141D+01
      2   0.225202D+01  0.258675D+01  0.279580D+01 -0.401167D+01 -0.506208D+01
      3   0.361211D+00 -0.107420D+01  0.202558D+01 -0.386340D+00 -0.100165D+02
               101           102           103           104           105 
      1   0.185053D-01  0.383876D+01 -0.186548D+00 -0.132021D+00 -0.145719D+01
      2   0.220176D+01 -0.676721D+00  0.164454D+01 -0.128387D+01  0.185570D+00
      3   0.406009D+01 -0.572892D+01  0.477956D+01 -0.215946D+01  0.141081D+01
               106           107           108           109           110 
      1   0.294572D+01 -0.372295D+00  0.275006D+01 -0.100458D+01  0.137092D+01
      2  -0.350094D+01  0.815080D+00 -0.927339D+00  0.104777D-01  0.496314D+00
      3  -0.712389D+01  0.185072D+01 -0.390526D+01 -0.297802D+00  0.165390D+00
               111           112           113           114           115 
      1   0.986974D+00  0.142078D+01 -0.491038D+01 -0.607555D+01  0.969601D+00
      2   0.581265D-01  0.492502D+00 -0.892014D+00 -0.105302D+01 -0.122061D+01
      3   0.650180D+00  0.203222D+01 -0.545369D+00 -0.461649D+00  0.333064D+01
               116           117           118           119           120 
      1  -0.551223D+01 -0.120321D+02 -0.880163D+00  0.188799D+00 -0.239995D+01
      2  -0.107705D+01 -0.137305D+01 -0.217066D+01 -0.986240D+00 -0.153745D+01
      3  -0.162718D+00  0.328093D-02  0.309934D+01  0.221950D+01  0.216494D+01
               121           122           123           124           125 
      1  -0.137050D-01 -0.195339D+01 -0.475731D+01 -0.167563D+01 -0.167928D+01
      2  -0.103705D+01 -0.364607D+01 -0.378965D+01 -0.400914D+01 -0.497994D+01
      3   0.325859D+01  0.453903D+01  0.402640D+01  0.281242D+01  0.521555D+01
               126           127           128           129           130 
      1  -0.108039D+02  0.305633D+01 -0.856397D+00  0.267792D+01 -0.110234D+01
      2  -0.103835D+02  0.478614D+01 -0.117203D+01  0.472364D+01 -0.760239D+00
      3   0.739525D+01 -0.110592D+02 -0.196139D+01 -0.167738D+01  0.181804D+01
               131           132           133           134           135 
      1   0.853407D+00 -0.199157D+01  0.167202D+01 -0.837715D+00  0.866270D+00
      2   0.123927D+01 -0.153661D+01  0.137353D+01 -0.179891D+01  0.100481D+01
      3  -0.517707D+00 -0.246691D+00 -0.176265D+01 -0.647725D+00  0.430723D+00
               136           137           138           139           140 
      1   0.305990D+01  0.115444D+01 -0.399260D+01  0.150476D+01  0.319055D+01
      2   0.280336D+01  0.859933D+00 -0.143661D+01  0.117775D+01  0.222093D+01
      3   0.790397D+01  0.466752D+01 -0.412719D+01  0.584209D+01  0.665484D+01
               141           142           143           144           145 
      1  -0.511867D+01 -0.282069D+01 -0.279988D+01  0.637613D+01  0.808857D+00
      2  -0.217442D+01 -0.359236D+01 -0.321754D+01  0.358460D+01  0.106523D+01
      3  -0.406500D+01 -0.488664D+01 -0.499255D+01  0.643357D+01 -0.143074D+01
               146           147           148           149           150 
      1  -0.933408D+00  0.691209D+00 -0.107974D+01  0.115854D+02 -0.242095D+01
      2  -0.106580D+01 -0.607322D+00 -0.153106D+01  0.338495D+01  0.252727D+01
      3   0.600543D+00  0.797625D-01  0.388210D+01 -0.159943D+02 -0.160916D+01
               151           152           153           154           155 
      1   0.825835D+00  0.826543D+00  0.966998D+00 -0.255689D+01 -0.288820D+01
      2  -0.188952D+01  0.156530D+01  0.572483D+00  0.857888D+01  0.244244D+01
      3  -0.189077D+00 -0.712315D+00 -0.223343D+01  0.564761D+00  0.389803D+00
               156           157           158           159           160 
      1   0.188427D+01 -0.124489D+01 -0.193453D+01  0.163666D+01  0.188706D+01
      2  -0.616670D+01  0.280465D+01  0.305039D+01 -0.377720D+01 -0.751195D+01
      3   0.637128D+00  0.161497D+01  0.997052D-01 -0.154017D+01  0.370761D+00
               161           162           163           164           165 
      1   0.431738D+01 -0.458683D+01 -0.339849D+01  0.249236D+01 -0.123008D+01
      2  -0.280486D+01  0.109447D+02 -0.616575D+01  0.123666D+01  0.269107D+01
      3  -0.865352D+00  0.485089D+00  0.724734D+01 -0.554906D+01  0.192974D+01
               166           167           168           169           170 
      1   0.146833D+01 -0.515445D+00  0.323603D+00 -0.153743D+01  0.170602D+01
      2   0.962839D+00 -0.182730D+00 -0.167061D+01 -0.125144D+01 -0.738879D+00
      3  -0.217467D+01  0.955267D+00 -0.102985D+01  0.177596D+01 -0.105831D+01
               171 
      1  -0.140057D+01
      2   0.127091D+01
      3   0.205759D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.271404D+02  0.930607D+01 -0.223967D+02  0.113482D+02  0.114939D+02
      2   0.231799D+02 -0.315180D+01  0.479365D+01 -0.562088D+01 -0.172763D+02
      3   0.396056D+01 -0.615427D+01  0.176031D+02 -0.572731D+01  0.578243D+01
      4   0.351588D+01  0.497163D+01 -0.154103D+01  0.461488D+01 -0.197212D+02
      5  -0.238601D+02  0.504455D+01 -0.393780D+01  0.710015D+01 -0.111378D+01
      6   0.233477D+01  0.250002D+01  0.369272D-01  0.155527D+01 -0.109862D+02
                 6             7             8             9            10 
      1  -0.148717D+01 -0.180396D+02 -0.264046D+01  0.622855D+01  0.734633D+01
      2  -0.824502D+01  0.385385D+01 -0.618516D+01 -0.912566D+00 -0.260194D+01
      3   0.973219D+01  0.141858D+02  0.882562D+01 -0.531598D+01 -0.474438D+01
      4  -0.187492D+01 -0.635393D+00 -0.456637D-04  0.111907D+02 -0.115243D+02
      5   0.731940D+01 -0.837516D+00  0.842029D+01  0.717468D+01  0.154528D+02
      6   0.624999D+00  0.165945D+01  0.710399D+00  0.750143D+01  0.577187D+01
                11            12            13            14            15 
      1  -0.114582D+02  0.121015D+02 -0.953854D+01 -0.264087D+01  0.269093D+01
      2   0.102867D+02 -0.763366D+01  0.101085D+02 -0.298352D+01 -0.155134D+01
      3   0.117148D+01 -0.446786D+01 -0.569993D+00  0.562439D+01 -0.113959D+01
      4  -0.280900D+01  0.225056D+01 -0.541425D+01  0.105644D+02  0.405755D+01
      5   0.267310D+01 -0.103179D+02  0.583192D+00  0.674618D+01 -0.118683D+02
      6  -0.689904D+00 -0.801244D+00  0.918707D+00 -0.144984D+01 -0.159594D+01
                16            17            18            19            20 
      1   0.110191D+02  0.109413D+01 -0.113665D+02 -0.996067D+01 -0.408193D+01
      2  -0.702786D+01 -0.219349D+01  0.862156D+01  0.742233D+01  0.530615D+01
      3  -0.399125D+01  0.109936D+01  0.274494D+01  0.253834D+01 -0.122423D+01
      4  -0.574430D+00  0.781683D+00 -0.119542D+02  0.174795D+01 -0.184119D+01
      5  -0.113377D+02 -0.123730D+02  0.173276D+01 -0.528567D+01 -0.637593D+00
      6  -0.226137D+01 -0.261152D+00  0.157548D+01 -0.736804D+01 -0.360251D+01
                21            22            23            24            25 
      1   0.272373D+01  0.226545D+01  0.760190D+01  0.306810D+01  0.112790D+01
      2   0.165998D+01 -0.200048D+00 -0.848865D+01  0.613929D+01  0.116409D+01
      3  -0.438371D+01 -0.206540D+01  0.886751D+00 -0.920739D+01 -0.229199D+01
      4  -0.471373D+00 -0.666975D+01 -0.473876D+00  0.649136D+00  0.358692D+01
      5   0.801500D+00  0.331628D+01 -0.142706D+01  0.708529D+00  0.121460D+01
      6   0.181463D+01  0.885992D+00  0.677985D+01 -0.550392D+01 -0.201372D+00
                26            27            28            29            30 
      1   0.631407D+01  0.686368D+01 -0.239009D+01  0.226317D+01 -0.995744D+00
      2   0.328440D+01  0.104288D+02  0.217288D+01 -0.444206D+01 -0.652482D+01
      3  -0.959847D+01 -0.172925D+02  0.217209D+00  0.217889D+01  0.752056D+01
      4   0.917459D+00 -0.128129D+01  0.258473D+01 -0.304676D+01 -0.675081D+01
      5  -0.130641D+01 -0.478014D+01  0.634734D+01 -0.605301D+01 -0.409930D+01
      6   0.146540D+01 -0.495204D+01 -0.240500D+01  0.276040D+00  0.808618D+00
                31            32            33            34            35 
      1   0.404760D+01  0.399586D+01 -0.543568D+01  0.909082D+01 -0.445727D+01
      2  -0.521262D+01 -0.889280D+01  0.913296D+01 -0.797315D+01 -0.456735D+00
      3   0.116502D+01  0.489694D+01 -0.369729D+01 -0.111767D+01  0.491400D+01
      4  -0.590911D+01 -0.214047D+01 -0.251599D+01 -0.108399D+02  0.613822D+01
      5  -0.147725D+02 -0.158762D+01  0.337832D+01 -0.100440D+02  0.498030D+01
      6  -0.294629D+01 -0.558454D+01 -0.198799D+01 -0.161155D+00 -0.291741D+01
                36            37            38            39            40 
      1  -0.159523D-01  0.604191D+00  0.618314D+00  0.750966D+01 -0.117109D+01
      2   0.810080D+01 -0.130346D+01 -0.153014D+01 -0.210496D+01  0.118028D+01
      3  -0.808485D+01  0.699265D+00  0.911825D+00 -0.540469D+01 -0.918240D-02
      4   0.608103D+01 -0.526571D+01  0.197480D+00  0.101858D+02  0.748528D+01
      5   0.172480D+02  0.108648D+02  0.667284D+01  0.258938D+01  0.904985D+01
      6  -0.300731D+01  0.734704D+01  0.598377D+01 -0.120734D+01  0.589432D+01
                41            42            43            44            45 
      1  -0.136514D+02  0.223499D+01  0.107103D+02  0.472841D+01 -0.454727D+01
      2   0.241493D+02  0.671046D+00 -0.173718D+01  0.326914D+01 -0.768146D+00
      3  -0.104979D+02 -0.290604D+01 -0.897314D+01 -0.799755D+01  0.531542D+01
      4   0.118133D+02  0.837411D+01  0.166490D+02  0.145055D+02 -0.546226D+00
      5   0.879221D+01  0.295636D+01  0.312532D+01  0.283971D+01  0.105992D+02
      6   0.779875D+01  0.665852D+01 -0.137429D+01  0.670116D+01  0.829863D+01
                46            47            48            49            50 
      1  -0.266118D+02  0.203051D+02 -0.800528D+01  0.142553D+02  0.196264D+01
      2   0.645064D+01 -0.137651D+02  0.701774D+01 -0.116911D+02  0.821640D+01
      3   0.201612D+02 -0.654005D+01  0.987546D+00 -0.256426D+01 -0.101790D+02
      4   0.258062D+02 -0.710503D+01  0.639619D+01 -0.268988D+01 -0.128991D+02
      5  -0.512915D+01  0.504030D+00  0.783923D+01  0.167067D+00 -0.369447D+01
      6   0.521619D+01  0.117727D+01 -0.106433D+02  0.133620D+00  0.254758D+01
                51            52            53            54            55 
      1   0.153482D+01 -0.975350D+01  0.303265D+01  0.208655D+02  0.824018D+01
      2   0.425607D+01  0.696266D+01  0.431689D+01 -0.139147D+02 -0.385646D+01
      3  -0.579089D+01  0.279085D+01 -0.734954D+01 -0.695072D+01 -0.438371D+01
      4  -0.837342D+00  0.743157D+01  0.706061D+00  0.358291D+01  0.145644D+02
      5   0.998606D+01  0.732517D+01  0.108729D+02  0.831384D+01 -0.945483D+01
      6  -0.137979D+02 -0.797797D+01 -0.163858D+02 -0.115594D+02  0.115048D+02
                56            57            58            59            60 
      1   0.230965D+00 -0.181854D+01 -0.136614D+01 -0.182425D+02  0.525371D+01
      2   0.331285D+01  0.365142D+01  0.372163D+01  0.281290D+02 -0.101827D+02
      3  -0.354381D+01 -0.183288D+01 -0.235549D+01 -0.988642D+01  0.492898D+01
      4  -0.439453D+01  0.861086D+01  0.250029D+01  0.423485D+01 -0.106929D+01
      5   0.497215D+01 -0.315895D+01  0.148530D+01 -0.123765D+01  0.104782D+01
      6  -0.451511D+01  0.800812D+01 -0.334100D+01 -0.154627D+02  0.318523D+01
                61            62            63            64            65 
      1  -0.280186D+00  0.752339D+01 -0.556685D+01  0.231900D+02 -0.378552D+01
      2   0.375514D+01 -0.109948D+02 -0.865594D+01 -0.163063D+02  0.230681D+01
      3  -0.347495D+01  0.347137D+01  0.142228D+02 -0.688371D+01  0.147872D+01
      4   0.665086D+01  0.333219D+00  0.813629D+01 -0.863886D+01  0.129191D+02
      5  -0.126505D+01  0.339314D+01 -0.333757D+01 -0.166661D+02  0.629837D+01
      6   0.811331D+01  0.600338D+00 -0.133323D+02  0.319051D+01 -0.231460D+01
                66            67            68            69            70 
      1  -0.859856D+01 -0.716459D+01 -0.190341D+01  0.896857D+00 -0.108690D+02
      2   0.107581D+02  0.435138D+01  0.302195D+01 -0.500532D+01  0.101229D+02
      3  -0.215954D+01  0.281322D+01 -0.111853D+01  0.410847D+01  0.746159D+00
      4   0.534720D+01  0.116934D+02 -0.128432D+02 -0.790299D+01  0.603951D+01
      5   0.164463D+02  0.824181D+01 -0.782355D+01 -0.734918D+01  0.211496D+02
      6  -0.290159D+01 -0.358569D+01  0.458223D+01  0.986076D+01 -0.186462D+01
                71            72            73            74            75 
      1  -0.172147D+01 -0.403161D+01  0.460639D+00  0.420211D+00 -0.378802D+00
      2  -0.194512D+01 -0.217369D+02 -0.453716D+01 -0.854522D+00 -0.195942D+01
      3   0.366659D+01  0.257685D+02  0.407652D+01  0.434311D+00  0.233822D+01
      4  -0.125730D+02 -0.947141D+01  0.196852D+00  0.185071D+01  0.459903D+00
      5  -0.753612D+01 -0.293418D+02  0.217598D+01  0.144892D+01  0.642693D+01
      6   0.903385D+01  0.678609D+01  0.166363D+01  0.369944D+00  0.237587D+00
                76            77            78            79            80 
      1   0.304233D+00 -0.418459D+01 -0.423490D+01 -0.114083D+01 -0.271277D+01
      2  -0.803708D+00 -0.131677D+01 -0.363384D+01 -0.174601D+01 -0.427064D+01
      3   0.499475D+00  0.550136D+01  0.786874D+01  0.288684D+01  0.698341D+01
      4   0.207563D+01  0.502610D+00  0.551378D+00  0.235801D+00  0.917689D+00
      5   0.657049D+00  0.775068D+00  0.177838D+01  0.522009D+01  0.112730D+01
      6   0.502667D+00  0.373736D+01  0.714192D+01 -0.117418D+00  0.585120D+01
                81            82            83            84            85 
      1  -0.172293D+02  0.172383D+02  0.625672D+01 -0.979798D+01  0.588164D+01
      2  -0.165494D+02 -0.117159D+02 -0.438610D+01  0.772670D+01 -0.340437D+01
      3   0.337787D+02 -0.552243D+01 -0.187062D+01  0.207129D+01 -0.247727D+01
      4   0.396740D+00  0.956042D+01  0.836210D+01 -0.482773D+01  0.927624D+01
      5   0.577269D+01 -0.163666D+02 -0.516475D+01  0.147876D+02 -0.528628D+01
      6   0.352540D+01 -0.397335D+01 -0.266507D+01  0.314770D+01 -0.371796D+01
                86            87            88            89            90 
      1   0.311345D+01 -0.198251D+01 -0.803025D+01 -0.141917D+01  0.484134D+01
      2  -0.597120D+00  0.141376D+01  0.846632D+01  0.314806D+01 -0.114076D+02
      3  -0.251633D+01  0.568749D+00 -0.436069D+00 -0.172889D+01  0.656628D+01
      4   0.749581D+01 -0.664818D+01 -0.421118D+01 -0.590092D+01  0.737917D+01
      5  -0.716537D+01  0.788864D+01  0.157580D+02  0.773574D+01 -0.193676D+02
      6  -0.474203D+01  0.599897D+01  0.347710D+01  0.529769D+01 -0.620812D+01
                91            92            93            94            95 
      1   0.180418D+02  0.928341D+01 -0.578393D+01  0.381517D+01  0.217385D+01
      2  -0.495302D+01  0.216070D-01  0.172080D+01  0.227939D+01  0.565851D+01
      3  -0.130887D+02 -0.930501D+01  0.406313D+01 -0.609456D+01 -0.783235D+01
      4   0.198901D+02  0.162543D+02 -0.624213D+01  0.119674D+02  0.140856D+02
      5  -0.702667D+01 -0.436456D+01  0.595171D+01 -0.251517D+01 -0.292143D+01
      6  -0.478814D+01 -0.319343D+01  0.339114D+01 -0.257190D+01 -0.345450D+01
                96            97            98            99           100 
      1  -0.617623D+00 -0.861317D+01 -0.415842D+01  0.319703D+01  0.284731D+01
      2  -0.138386D+01  0.220541D+01 -0.149103D+01 -0.811968D+00  0.178885D+00
      3   0.200148D+01  0.640776D+01  0.564944D+01 -0.238506D+01 -0.302620D+01
      4  -0.421863D+01 -0.131403D+02 -0.123072D+02  0.837564D+01 -0.194478D+02
      5   0.296177D+01  0.844411D+01  0.634205D+01 -0.690863D+01  0.139894D+02
      6   0.334308D+01  0.634606D+01  0.640761D+01 -0.607068D+01 -0.139441D+02
               101           102           103           104           105 
      1   0.217663D+01 -0.466698D+00  0.137364D+01 -0.319891D+01  0.179568D+01
      2  -0.566048D+01 -0.107548D+01 -0.426106D+01  0.637957D+01 -0.263051D+01
      3   0.348385D+01  0.154218D+01  0.288742D+01 -0.318066D+01  0.834825D+00
      4   0.152540D+02 -0.115512D+02  0.108703D+02 -0.761833D+01  0.400727D+01
      5  -0.844156D+01  0.107169D+02 -0.434320D+01  0.431695D+01 -0.226680D+01
      6   0.101127D+02 -0.106381D+02  0.589449D+01 -0.670495D+01  0.608712D+01
               106           107           108           109           110 
      1  -0.915510D+00  0.316495D+01 -0.314435D+01 -0.130293D+01 -0.615242D-01
      2  -0.184578D+01 -0.194193D+01 -0.152514D+01  0.215999D+01 -0.279482D+01
      3   0.276129D+01 -0.122302D+01  0.466949D+01 -0.857057D+00  0.285634D+01
      4  -0.112472D+02  0.527380D+01 -0.790194D+01 -0.153251D+01  0.439067D+01
      5   0.102361D+02 -0.498696D+01  0.820830D+01 -0.309964D+00 -0.608701D+00
      6  -0.949709D+01  0.875896D+01 -0.101111D+02 -0.204958D+00 -0.192180D+01
               111           112           113           114           115 
      1   0.152208D+01 -0.528205D+00 -0.594668D+01 -0.179672D+01  0.399132D+00
      2  -0.211718D+01 -0.180042D+01  0.125693D+02  0.723391D+01 -0.230596D+01
      3   0.595102D+00  0.232862D+01 -0.662258D+01 -0.543718D+01  0.190683D+01
      4   0.325178D+00  0.444572D+01 -0.324994D+01 -0.247849D+01  0.318160D+01
      5   0.202298D+01 -0.586143D+00 -0.111525D+01 -0.113483D+01  0.102602D+01
      6  -0.244438D+00 -0.184210D+01  0.470466D+01  0.862740D+01 -0.439559D+00
               116           117           118           119           120 
      1  -0.624274D+01 -0.317154D+01 -0.405620D+00 -0.601954D+01 -0.443761D+01
      2   0.135647D+02  0.893144D+01  0.332938D+00  0.492475D+01  0.143041D+01
      3  -0.732199D+01 -0.575990D+01  0.726814D-01  0.109479D+01  0.300720D+01
      4  -0.417827D+01 -0.142705D+01 -0.981665D+00  0.214509D+01  0.226041D+01
      5  -0.798779D+00 -0.217042D+01 -0.912651D+00  0.516357D+00  0.951413D+00
      6   0.757072D+01  0.139006D+02  0.349831D+01  0.266893D+01  0.509747D+01
               121           122           123           124           125 
      1  -0.315974D+01 -0.109583D+02 -0.835856D+01 -0.390430D+01 -0.108347D+02
      2   0.248078D+01  0.110902D+02  0.727244D+01  0.101854D+01  0.871530D+01
      3   0.678965D+00 -0.131975D+00  0.108611D+01  0.288576D+01  0.211941D+01
      4   0.305125D+01 -0.429925D+01 -0.449112D+01  0.460083D+01 -0.760604D+01
      5   0.957974D+00 -0.547271D+01 -0.657600D+01  0.295155D+01 -0.951502D+01
      6   0.957946D+00  0.124019D+02  0.150313D+02  0.205072D+01  0.182153D+02
               126           127           128           129           130 
      1  -0.188161D+02  0.495416D+02 -0.125186D+02  0.418895D+01 -0.599007D+01
      2   0.190916D+01 -0.186629D+02 -0.928697D+00 -0.197456D+01 -0.247627D+01
      3   0.169069D+02 -0.308787D+02  0.134472D+02 -0.221440D+01  0.846634D+01
      4  -0.561445D+01 -0.388838D+02  0.222487D+02 -0.287659D+01  0.159719D+02
      5  -0.175705D+02  0.377187D+00  0.580436D+00  0.765903D+01 -0.263055D-01
      6   0.269826D+02 -0.191105D+01 -0.298950D+00 -0.407736D+01  0.265854D+00
               131           132           133           134           135 
      1   0.581840D+01 -0.235221D+00  0.589690D+01 -0.161213D+01  0.320287D+01
      2   0.195706D+01 -0.103158D+01 -0.215292D+01 -0.131238D+01 -0.124839D+01
      3  -0.777545D+01  0.126680D+01 -0.374398D+01  0.292452D+01 -0.195449D+01
      4  -0.107213D+02  0.166721D+01 -0.572657D+01  0.373416D+01 -0.525545D+01
      5   0.692304D+00 -0.204319D+01  0.771278D+01 -0.407050D+01  0.153573D+01
      6  -0.670859D+00  0.345417D+01 -0.359971D+01  0.460515D+01 -0.489903D+00
               136           137           138           139           140 
      1  -0.252680D+01 -0.896168D+01  0.515088D+01 -0.642903D+01 -0.123117D+02
      2   0.442704D+01  0.104209D+02 -0.409880D+01  0.686424D+01  0.174756D+02
      3  -0.190024D+01 -0.145919D+01 -0.105208D+01 -0.435214D+00 -0.516391D+01
      4   0.395447D+01  0.160986D+01 -0.361730D+01  0.370124D+01 -0.177020D+01
      5   0.139806D+01  0.655388D+00 -0.220534D+01  0.776121D+00  0.310716D+01
      6  -0.504615D+01 -0.363486D+01  0.686516D+01 -0.298048D+01 -0.831681D+01
               141           142           143           144           145 
      1   0.599589D+01  0.581802D+01  0.824612D+01 -0.115833D+02  0.187980D+01
      2  -0.852334D+01 -0.399912D+01 -0.117355D+02  0.772494D+01  0.343480D+00
      3   0.252746D+01 -0.181890D+01  0.348941D+01  0.385836D+01 -0.222328D+01
      4   0.395567D+00 -0.507004D+01  0.322371D+01  0.153856D+00  0.307957D+01
      5  -0.395796D+01 -0.103951D+01 -0.482362D+01  0.516228D+01  0.259124D+01
      6   0.963079D+01  0.518195D+01  0.112760D+02 -0.116797D+02  0.127172D+01
               146           147           148           149           150 
      1   0.334271D+01  0.301187D+01  0.355806D+01 -0.161663D+02 -0.348783D+01
      2  -0.172896D+01 -0.542294D+00 -0.147215D+01  0.289658D+02  0.139640D+01
      3  -0.161374D+01 -0.246957D+01 -0.208591D+01 -0.127995D+02  0.209143D+01
      4   0.492764D+01  0.651032D+00  0.721942D+01  0.285827D+02  0.610080D+01
      5   0.148792D+01  0.132921D+01  0.365136D+01  0.460109D+01  0.527832D+01
      6  -0.440460D+00 -0.248906D+00  0.168096D+01  0.197100D+02  0.949151D+01
               151           152           153           154           155 
      1   0.708268D+00 -0.312702D+01 -0.444657D+01 -0.366494D+01 -0.284142D+01
      2   0.261115D+00  0.107765D+01  0.287009D+01 -0.321367D+01 -0.263451D+00
      3  -0.969384D+00  0.204937D+01  0.157647D+01  0.687861D+01  0.310487D+01
      4   0.887541D-01  0.177195D+01  0.230950D+01 -0.215340D+01 -0.220386D+01
      5   0.124007D+01  0.275344D+01  0.191661D+00 -0.232865D+01 -0.197494D+01
      6  -0.214499D+00  0.785430D+01  0.283864D+01 -0.170752D+01 -0.366859D+01
               156           157           158           159           160 
      1   0.107581D+02 -0.369330D+01 -0.566645D+01  0.463021D+01  0.888867D+01
      2   0.304071D+01  0.805053D+00  0.187238D+01  0.378447D+01  0.118269D+01
      3  -0.137988D+02  0.288825D+01  0.379407D+01 -0.841468D+01 -0.100714D+02
      4   0.121961D+01 -0.106055D+01 -0.613813D+00  0.223146D+01  0.200416D+01
      5   0.378261D+00 -0.273861D+01  0.302236D+00 -0.354962D+01  0.384150D+01
      6   0.303547D+00 -0.237065D+01 -0.265176D+01  0.488571D+01  0.699255D+00
               161           162           163           164           165 
      1   0.355723D+01 -0.167512D+02  0.520946D+02 -0.412856D+01  0.140805D+02
      2   0.263331D+01 -0.107298D+02 -0.332580D+02  0.275318D+01 -0.129520D+02
      3  -0.619054D+01  0.274810D+02 -0.188366D+02  0.137538D+01 -0.112850D+01
      4   0.287245D+01 -0.355489D+01  0.378729D+01  0.784288D+01  0.203218D+01
      5  -0.781377D+00  0.519097D+01  0.329191D+02 -0.174813D+01  0.192720D+02
      6   0.497990D+01 -0.182496D+01 -0.450509D+00  0.385658D+01  0.105138D+01
               166           167           168           169           170 
      1  -0.798183D+01  0.432864D+01 -0.170553D+01  0.870359D+01  0.246645D-01
      2   0.549777D+01 -0.116487D+01  0.336824D+01 -0.938836D+01  0.127676D+01
      3   0.248406D+01 -0.316377D+01 -0.166271D+01  0.684769D+00 -0.130142D+01
      4   0.748170D+01 -0.668811D+00  0.277800D+01  0.975985D+00  0.138959D+01
      5  -0.571796D+01  0.422569D+01 -0.455772D+01  0.158900D+02 -0.201324D+01
      6   0.344176D+01 -0.377338D+00  0.231741D+01  0.441033D+00  0.181017D+01
               171 
      1   0.650281D+01
      2  -0.929493D+01
      3   0.279213D+01
      4  -0.598950D+00
      5   0.111221D+02
      6  -0.312479D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x         -0.109650D+00     -0.278702D+00     -0.929648D+00
   y         -0.457292D+00     -0.116232D+01     -0.387708D+01
   z         -0.267850D+00     -0.680806D+00     -0.227092D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.762568D+02      0.113001D+02      0.125730D+02
   yx         0.346321D+00      0.513194D-01      0.571006D-01
   yy         0.779479D+02      0.115507D+02      0.128519D+02
   zx        -0.836962D+00     -0.124025D+00     -0.137996D+00
   zy         0.191988D+01      0.284497D+00      0.316546D+00
   zz         0.693001D+02      0.102692D+02      0.114260D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.785460D+02      0.116393D+02      0.129505D+02
   aniso      0.861058D+01      0.127596D+01      0.141969D+01
   xx         0.806111D+02      0.119453D+02      0.132910D+02
   yx         0.259831D+00      0.385030D-01      0.428404D-01
   yy         0.815737D+02      0.120880D+02      0.134497D+02
   zx        -0.122447D+01     -0.181448D+00     -0.201888D+00
   zy         0.186081D+01      0.275744D+00      0.306806D+00
   zz         0.734531D+02      0.108846D+02      0.121108D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.46198459          1.55153967         -2.59925220
     6          2.50851882         -0.15917674         -0.27289861
     6          0.00329269         -1.63251163          0.10092582
     6         -2.19068596          0.16063754          0.61910387
     8         -2.49562424          0.65201829          3.10915244
     6          3.29311304          1.30847957          2.08713192
     7         -0.48322095         -3.26558812         -2.06158702
     8         -3.53441491          1.07528940         -0.97476283
     1          0.23863234         -2.82160049          1.76885208
     1          3.90049359         -1.64920369         -0.60709623
     1         -3.88994040          1.83523985          3.25791193
     1         -1.85254447         -4.53535317         -1.63761635
     1         -1.15597001         -2.21939862         -3.52004944
     1          3.29399582          0.10845228          3.76474714
     1          5.19447232          2.06873217          1.84427650
     1          2.02893407          2.89589396          2.45584364
     1          2.05765159          0.49057432         -4.31837194
     1          1.04822876          3.04277518         -2.41637721
     1          4.30156265          2.45073838         -2.84619311

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541186D+00      0.137556D+01      0.458837D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541186D+00      0.137556D+01      0.458837D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.745016D+02      0.110400D+02      0.122837D+02
   aniso      0.874870D+01      0.129642D+01      0.144247D+01
   xx         0.763352D+02      0.113117D+02      0.125860D+02
   yx         0.460727D+00      0.682727D-01      0.759636D-01
   yy         0.698529D+02      0.103511D+02      0.115172D+02
   zx        -0.450909D-02     -0.668178D-03     -0.743448D-03
   zy         0.297530D+01      0.440894D+00      0.490560D+00
   zz         0.773167D+02      0.114572D+02      0.127478D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.785460D+02      0.116393D+02      0.129505D+02
   aniso      0.861058D+01      0.127596D+01      0.141969D+01
   xx         0.808409D+02      0.119794D+02      0.133289D+02
   yx         0.186682D+00      0.276635D-01      0.307798D-01
   yy         0.738522D+02      0.109438D+02      0.121766D+02
   zx         0.131037D+00      0.194177D-01      0.216051D-01
   zy         0.285232D+01      0.422670D+00      0.470284D+00
   zz         0.809448D+02      0.119948D+02      0.133460D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-14\Freq\RM11\Gen\C5H11N1O2\PIERPA\12-Aug-2021\0\\#P M
 11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=
 Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.63976,0.584137
 ,1.110557\C,1.310612,0.014006,-0.268656\C,-0.10806,0.405959,-0.756755\
 C,-1.184071,-0.188475,0.144559\O,-1.578202,-1.419243,-0.255187\C,1.550
 309,-1.494532,-0.314629\N,-0.225553,1.853842,-0.868439\O,-1.649297,0.3
 52803,1.115054\H,-0.237834,-0.025399,-1.750522\H,1.972519,0.490983,-0.
 996628\H,-2.240025,-1.728348,0.384417\H,-1.052677,2.09826,-1.400434\H,
 -0.352008,2.25755,0.053469\H,1.298171,-1.91299,-1.290687\H,2.600947,-1
 .711329,-0.114938\H,0.956373,-2.021608,0.434148\H,1.551693,1.670626,1.
 129751\H,0.982941,0.175809,1.881037\H,2.667461,0.334501,1.380071\\Vers
 ion=ES64L-G16RevA.03\State=1-A\HF=-402.5701616\RMSD=9.520e-09\RMSF=4.8
 39e-06\ZeroPoint=0.1644214\Thermal=0.1738884\Dipole=-0.1096496,-0.4572
 918,-0.2678495\DipoleDeriv=0.0389263,0.0139605,-0.0433137,0.024339,0.0
 363925,-0.0509705,-0.0341372,-0.0490979,-0.0000832,0.1892528,-0.004872
 6,0.0069755,-0.0851693,0.128862,0.0552132,0.0958409,0.0565977,0.098188
 2,0.045556,-0.0955652,0.0597164,-0.0612205,0.4379272,-0.1341736,0.0134
 215,-0.0587475,0.1542484,0.7831357,0.2953108,-0.3049805,0.4114275,1.27
 02031,0.4876974,-0.4173549,0.5468286,0.8646265,-0.4978781,-0.3580535,-
 0.1201125,-0.2779372,-1.0973742,-0.2958624,-0.0516272,-0.1642558,-0.36
 92967,0.0683658,0.047855,-0.0234237,0.0213652,-0.013016,-0.0060058,-0.
 0286584,-0.0125502,0.086889,-0.3978475,-0.0797015,0.1054243,0.0037774,
 -0.6645443,0.1497425,0.0708967,0.1515016,-0.3051797,-0.6284244,0.06093
 68,0.3085099,-0.0803629,-0.6805763,-0.1514105,0.2734978,-0.3349367,-0.
 8053364,0.0305539,-0.0207195,-0.0298825,-0.0154866,-0.009261,-0.040782
 4,-0.0169019,-0.0541091,-0.0849876,-0.0625653,-0.0409892,0.0672904,-0.
 0408328,-0.0143495,0.0399823,0.0426215,0.034532,-0.0635008,0.2894062,-
 0.003644,0.0596854,0.0304784,0.3102913,-0.019599,0.0922089,0.0033154,0
 .2113041,0.0368032,0.1009919,-0.122285,0.0120748,0.1576937,-0.0542981,
 -0.0493929,-0.0615534,0.2042331,0.2351189,0.0880903,0.0215017,0.039754
 ,0.203009,0.0059144,0.0025122,-0.0681315,0.0661767,0.0602812,-0.031584
 4,-0.0602573,-0.0076306,-0.0073096,-0.0522912,-0.0393223,-0.0931118,-0
 .1119878,-0.1515135,0.0783005,-0.0350419,0.0298672,0.0231286,0.0072179
 ,-0.0500053,0.0160527,0.0631102,0.0148209,-0.0688535,0.0841963,-0.0194
 842,-0.0070263,0.0285038,0.0845543,0.0713766,-0.0451109,0.0781651,0.03
 43416,0.0098888,0.0091767,-0.1462775,-0.0409896,0.0139664,-0.0080643,0
 .0398614,0.009001,-0.051242,0.0962138,-0.0594822,0.0136197,0.0554142,0
 .0475359,0.0220019,-0.0346858,-0.1411582,0.0354382,-0.0801054,0.065346
 2,0.0586075,0.0166974,-0.0496561,0.0023518,0.0315313\Polar=76.2567823,
 0.3463207,77.9479083,-0.8369621,1.9198834,69.30006\Quadrupole=1.478103
 9,0.1226564,-1.6007603,0.614,2.199438,-1.1111748\PG=C01 [X(C5H11N1O2)]
 \NImag=0\\0.56364724,-0.01053974,0.56158824,-0.02303596,-0.03431690,0.
 47912861,-0.08212193,-0.00647709,-0.01475428,0.48201832,-0.00754283,-0
 .09225018,-0.03337693,0.03846715,0.49774689,-0.01587952,-0.03104742,-0
 .16357677,-0.05398344,-0.03609209,0.52071254,-0.01175460,-0.00074319,-
 0.00895795,-0.13017830,-0.00332835,-0.01014628,0.40823066,-0.01200461,
 0.00483810,-0.00137566,0.01574988,-0.07362641,0.00192731,0.00749423,0.
 50402437,-0.03078337,0.00630145,-0.01189823,-0.02541156,0.00150696,-0.
 08181695,0.00986942,0.07946633,0.58154522,0.00119116,-0.00082336,-0.00
 045385,-0.03603939,-0.00686344,0.01627168,-0.12159574,-0.02149806,0.03
 029395,0.47354020,0.00049948,-0.00161397,0.00100711,-0.00052020,0.0105
 7725,-0.01030388,-0.01660227,-0.08309683,0.02419319,0.02393166,0.56467
 107,-0.00294443,-0.00029867,0.00310767,0.00299024,-0.01109168,0.015874
 67,0.01321977,0.02090305,-0.11324645,-0.27419481,0.20331866,0.71709389
 ,-0.00025694,0.00009035,0.00023721,0.00088550,0.00050118,-0.00023252,-
 0.00182664,-0.02798223,-0.00323849,-0.11138352,-0.06904327,0.01266322,
 0.31672529,-0.00089783,0.00093651,-0.00065822,0.00196762,-0.00419489,0
 .00305082,-0.01384480,-0.01770924,-0.00746144,-0.05511368,-0.21574413,
 -0.04293634,0.17269440,0.37176340,0.00028217,0.00002235,-0.00042451,0.
 00031419,0.00121860,-0.00141106,0.00950056,0.01259301,0.00962834,0.022
 48185,-0.02373890,-0.10901357,-0.23002974,0.01898383,0.35261549,0.0014
 7436,-0.00695050,0.00015899,-0.08227200,0.01358847,0.00115920,-0.00466
 364,0.03098340,0.00119557,0.00012455,0.00069468,-0.00078171,-0.0026226
 4,0.00040086,0.00032360,0.56744656,-0.00009093,-0.01945799,-0.00667367
 ,0.01248462,-0.17917629,-0.00027329,0.00645530,-0.01082639,0.00184808,
 0.00127497,0.00257599,-0.00109854,0.00060968,-0.00152826,0.00062248,0.
 01912553,0.46559250,0.00373740,-0.03497870,-0.00379821,0.00125066,-0.0
 0017277,-0.07909911,0.00051844,0.00794765,-0.00037039,0.00034300,-0.00
 146522,-0.00025368,-0.00125877,0.00131740,-0.00070211,0.00525587,-0.00
 057192,0.57147519,0.00061839,-0.00093474,-0.00010546,-0.00501492,0.035
 68161,-0.00452140,-0.06545204,0.03513375,-0.01594251,0.00411088,-0.019
 24238,0.00564587,-0.00439972,-0.00429471,0.00154153,-0.00522428,0.0003
 5545,-0.00258121,0.39781992,-0.00014394,-0.00030177,-0.00045649,0.0075
 7461,-0.01940500,0.00397987,-0.00550221,-0.20388885,0.01169932,-0.0023
 7823,-0.03652218,0.00889368,-0.00471315,-0.00252697,0.00388191,0.00231
 160,0.00076800,0.00169429,-0.13834124,0.44742013,0.00063315,0.00046988
 ,0.00018448,-0.00328547,0.01787096,-0.00072043,-0.01337411,-0.00937356
 ,-0.09858600,-0.00187969,0.01914022,-0.00328713,0.00374264,0.00373454,
 -0.00050098,-0.00318906,-0.00012637,-0.00086550,0.15288354,0.08324998,
 0.59318889,-0.00100167,0.00091795,-0.00085442,0.00341131,-0.00052502,-
 0.00110198,0.00232200,0.01429262,0.03639662,-0.19899344,0.08696017,0.2
 1584159,0.03350760,0.00313998,-0.00405517,-0.00030899,-0.00041233,0.00
 005921,-0.00019049,-0.00132947,-0.00001961,0.17108539,-0.00029391,0.00
 023973,-0.00007014,-0.00214325,-0.00080321,0.00091627,-0.00067232,0.00
 762215,-0.00132708,0.09712336,-0.21547274,-0.21904628,0.00944524,-0.05
 769243,-0.07509318,0.00002259,-0.00054095,0.00027477,-0.00417830,0.002
 78115,0.00376295,-0.10659572,0.25234578,-0.00008354,0.00046894,-0.0019
 4845,-0.00184576,0.00371889,-0.00796071,0.02703367,-0.01727989,-0.0220
 0713,0.22012527,-0.20844183,-0.49874472,0.00040542,-0.06706995,-0.0199
 9787,0.00066457,0.00036744,0.00039131,-0.00042194,-0.00279408,0.002003
 16,-0.25058697,0.28943928,0.55165663,-0.00528757,0.00244660,-0.0001821
 1,-0.00728677,-0.00956971,-0.03020665,-0.04749298,-0.01467585,-0.02720
 214,0.00358674,0.00903434,0.02447967,-0.00073410,0.00001443,-0.0008191
 6,0.00118948,-0.00116673,-0.00038806,0.00046261,0.00229412,0.00267736,
 -0.00548227,-0.00146097,0.00305212,0.05880294,0.00181849,-0.00026163,0
 .00051114,0.00081738,0.00261700,0.00683324,-0.01192124,-0.08532741,-0.
 08624297,0.00436257,0.00536018,0.00967547,-0.00157591,-0.00085718,0.00
 072735,0.00042580,0.00068861,0.00126762,-0.00317792,-0.02195025,-0.032
 91075,-0.00382633,0.00052532,0.00192980,0.01217479,0.10408680,-0.00215
 868,0.00087719,0.00130513,-0.00300904,-0.00307110,-0.01083258,-0.02416
 381,-0.08955426,-0.26833258,-0.00489939,-0.01111627,-0.02092369,-0.000
 02790,0.00079987,0.00230836,0.00066129,-0.00047542,0.00009314,0.000477
 78,0.00132450,0.00564702,0.00456771,0.00220846,-0.00159838,0.02786024,
 0.09781726,0.28798934,0.00465759,0.00318972,-0.00533981,-0.13944286,-0
 .06705309,0.10344264,-0.03173505,-0.01250009,0.01912739,-0.00247596,0.
 00438424,-0.00642842,-0.00015163,-0.00155334,0.00068312,0.00382160,0.0
 0314577,-0.00446800,0.00329092,-0.00092162,0.00026447,-0.00015443,-0.0
 0028138,0.00263725,0.00124179,-0.00047704,0.00003845,0.15721226,0.0079
 5568,0.00533866,-0.01016879,-0.06872159,-0.09297267,0.07294940,0.00603
 434,0.00231344,-0.00331564,0.00095881,-0.00173560,0.00098509,-0.000006
 28,0.00073110,-0.00017286,-0.01934460,-0.01873423,0.02202583,0.0006733
 0,0.00076315,-0.00064628,-0.00007082,0.00029998,-0.00066539,-0.0005943
 4,0.00006834,-0.00012212,0.07155282,0.10698089,0.01821755,0.01133476,-
 0.02465605,0.10400279,0.07229381,-0.15929522,-0.00811274,-0.00265473,0
 .00473264,-0.00142065,0.00167445,-0.00154648,0.00013367,-0.00034822,0.
 00013844,-0.00127078,-0.00052510,0.00142477,-0.00030334,-0.00080374,0.
 00010892,-0.00019764,-0.00026852,0.00173609,0.00023571,-0.00042729,0.0
 0109345,-0.10808582,-0.07782941,0.17731048,-0.00009489,-0.00007790,0.0
 0014459,0.00027611,0.00051436,-0.00037183,0.00593424,-0.00287596,-0.00
 116955,-0.01465630,-0.01708370,0.01242387,-0.22827995,-0.10460069,0.19
 927849,-0.00032296,-0.00004726,0.00024726,-0.00114079,-0.00104948,0.00
 034964,-0.00174229,0.00760309,-0.00021903,0.00023912,0.00062584,0.0001
 8343,0.00016681,0.00003180,0.00001890,0.23985226,0.00010976,-0.0000690
 9,0.00017586,-0.00060533,-0.00048300,0.00063515,-0.00114897,-0.0025416
 3,-0.00518394,-0.04249142,-0.02260273,0.03451806,-0.07990474,-0.076680
 50,0.06056933,0.00019508,-0.00007146,-0.00018939,-0.00043186,-0.001212
 26,0.00050822,0.00746106,0.00619721,-0.00032009,0.00048517,0.00018643,
 -0.00017286,-0.00017586,-0.00001154,-0.00002053,0.11667803,0.09716798,
 -0.00012261,-0.00003906,0.00002832,0.00037887,0.00064476,-0.00050821,0
 .00148079,-0.00305691,0.00151761,-0.00698728,0.00103708,0.01405628,0.2
 1724232,0.09321122,-0.23343000,-0.00015646,-0.00016317,0.00002924,-0.0
 0040137,-0.00042005,0.00077904,-0.00085185,-0.00067296,-0.00587261,-0.
 00033846,-0.00004674,0.00042386,0.00019433,-0.00001093,0.00003445,-0.2
 1049979,-0.09065292,0.22286797,0.00033579,-0.00003642,0.00031048,0.000
 17186,0.00297869,0.00019045,-0.00495560,-0.00685637,0.00317968,0.00194
 907,-0.00148592,0.00033696,-0.00033134,0.00008386,-0.00005707,-0.00056
 643,-0.00012067,-0.00062903,-0.28770383,0.09122147,-0.19578976,-0.0005
 2578,0.00015672,-0.00007865,0.00042292,0.00007588,0.00046398,0.0005439
 5,-0.00014076,-0.00011542,-0.00004812,-0.00000860,-0.00009104,0.289980
 38,-0.00062845,-0.00024690,-0.00056945,-0.00169337,-0.00681179,-0.0001
 1330,0.03298932,-0.01346229,0.02283403,0.00177352,-0.00097992,-0.00009
 630,-0.00013241,0.00022338,-0.00014900,0.00193562,0.00022795,0.0005415
 4,0.06532094,-0.06669828,0.02499816,-0.00032977,0.00074075,0.00028911,
 0.00008366,0.00132836,-0.00072046,-0.00022620,0.00008454,-0.00022663,0
 .00007653,-0.00007930,-0.00003259,-0.08473558,0.08115875,-0.00012433,-
 0.00043283,0.00002642,0.00070290,-0.00134239,0.00074361,0.00045525,0.0
 0162994,-0.00134956,-0.00093329,0.00139721,0.00042184,-0.00042087,-0.0
 0070850,-0.00023928,0.00021528,-0.00024117,0.00045669,-0.15328921,0.03
 026069,-0.14039093,0.00109774,-0.00087180,-0.00021030,0.00069846,-0.00
 052606,0.00073314,-0.00025706,-0.00000430,0.00007545,-0.00006260,0.000
 02402,0.00001678,0.18478494,-0.03901724,0.16043571,0.00043171,0.001623
 21,-0.00007876,0.00069599,0.00093820,0.00179675,-0.00264530,-0.0053189
 3,0.00399256,0.00048187,-0.00204834,-0.00316457,0.00077895,0.00158478,
 0.00079844,-0.00021754,0.00016425,-0.00059854,-0.03623166,0.05085437,0
 .05723697,-0.00053642,0.00139475,0.00002608,0.00039322,0.00038721,0.00
 009538,-0.00004924,0.00020471,0.00000463,-0.00003206,-0.00020674,0.000
 12654,0.00069487,-0.01468570,-0.03309581,0.03783497,0.00010451,-0.0000
 8507,0.00017630,-0.00013641,0.00006743,-0.00044323,0.00353367,-0.02177
 360,-0.03974367,0.00005473,-0.00249276,-0.00489363,0.00054728,0.001764
 44,0.00095270,0.00005839,-0.00006104,0.00007200,0.02914091,-0.09897171
 ,-0.11317101,0.00050235,0.00282902,0.00143656,0.00103123,-0.00676564,0
 .00165455,-0.00010416,-0.00004569,0.00011004,-0.00006984,-0.00019319,0
 .00016521,-0.00188309,0.00436099,0.00938419,-0.03307330,0.12062486,-0.
 00032169,0.00011299,-0.00025898,0.00013287,-0.00053228,0.00015989,0.00
 190743,0.00191203,0.00342222,0.00061199,0.00207939,0.00124084,0.000021
 52,-0.00076811,-0.00060110,-0.00004188,-0.00008616,-0.00015302,0.01709
 406,-0.14102224,-0.35930122,-0.00044146,0.00064586,-0.00072264,0.00049
 597,0.00129301,0.00148643,-0.00001259,-0.00006288,-0.00010403,0.000167
 66,0.00017039,0.00002376,0.00729275,-0.00801803,-0.02070259,-0.0257938
 4,0.14351157,0.37593803,0.00001628,0.00104042,-0.00005628,-0.00044572,
 0.00201938,0.00550347,0.00052158,0.00037340,0.00092464,0.00008027,0.00
 060714,0.00062211,-0.00010948,-0.00033919,-0.00013148,-0.06152639,-0.0
 2262990,-0.05526162,0.00003506,-0.00022381,0.00000481,0.00007707,-0.00
 022960,-0.00037484,0.00010434,0.00019097,-0.00018968,-0.00005171,-0.00
 030407,-0.00029597,0.00006471,-0.00008608,0.00002816,0.00002475,0.0000
 0466,-0.00003115,-0.00000899,-0.00001724,0.00003003,0.06218069,0.00154
 433,-0.00665049,0.00164054,-0.00761307,-0.01123445,-0.03087895,-0.0005
 7709,0.00085338,-0.00137412,0.00028932,-0.00041523,-0.00013890,-0.0000
 1003,0.00005366,0.00007733,-0.02198183,-0.08302683,-0.08538115,-0.0002
 2507,0.00040217,0.00050690,-0.00012880,0.00015690,0.00024860,0.0006967
 2,-0.00001243,0.00076926,-0.00053181,0.00103495,0.00043937,0.00000007,
 0.00007432,0.00002318,0.00001735,0.00004088,0.00000870,-0.00027550,0.0
 0019529,-0.00003842,0.02378759,0.09157881,0.00005702,-0.00105609,0.001
 28851,0.00019404,0.00045144,-0.00036096,-0.00018633,0.00034658,0.00006
 408,-0.00044977,-0.00114785,-0.00066666,-0.00005470,0.00071183,0.00043
 227,-0.05407683,-0.08670711,-0.25787934,0.00027613,-0.00001223,0.00042
 432,0.00005765,0.00038350,0.00053741,0.00046439,-0.00014651,0.00042773
 ,0.00002092,-0.00052597,0.00054307,-0.00014079,0.00012198,-0.00003533,
 0.00007744,-0.00004636,-0.00003943,-0.00015261,0.00011844,0.00001033,0
 .06107427,0.09603526,0.27914896,0.00014024,-0.00068780,-0.00008950,-0.
 00516880,0.00047727,-0.00123523,0.00179031,0.00072784,0.00020412,0.000
 54710,-0.00117588,-0.00061168,-0.00049909,0.00057547,0.00003201,-0.291
 06986,0.04739418,-0.04574546,-0.00030623,0.00017046,-0.00017386,-0.000
 11035,0.00030062,0.00047684,0.00013842,-0.00013828,0.00010409,0.000865
 21,0.00030161,-0.00022465,0.00006379,0.00013384,-0.00003431,-0.0000096
 2,0.00012830,0.00013073,-0.00013356,0.00003858,-0.00003309,-0.00617506
 ,0.00063379,-0.00111811,0.31580208,0.00083063,0.00132284,0.00097202,0.
 03389343,-0.00775700,0.00595572,-0.00112091,-0.00538547,-0.00162858,-0
 .00102559,-0.00153497,0.00045738,-0.00022980,0.00101682,-0.00010399,0.
 04557775,-0.05445013,0.00814010,0.00169722,-0.00093625,0.00109232,0.00
 027916,0.00036841,-0.00021088,-0.00032167,0.00001992,0.00007743,-0.000
 32959,0.00150096,0.00042230,0.00005855,0.00007523,0.00000180,0.0002744
 2,-0.00064135,-0.00011748,0.00008378,-0.00001645,0.00002364,-0.0119170
 1,0.00177830,-0.00101368,-0.05211931,0.06191276,0.00085725,-0.00017504
 ,0.00028201,0.00061249,0.00037075,-0.00154190,-0.00011873,-0.00001300,
 -0.00006601,-0.00009916,0.00059148,-0.00016018,0.00029454,-0.00050198,
 0.00028715,-0.04611001,0.00837761,-0.05602852,-0.00000822,0.00016021,0
 .00044421,-0.00009994,-0.00006618,0.00011464,0.00035088,0.00000238,0.0
 0041404,-0.00034638,0.00008348,0.00000200,-0.00009730,0.00004920,0.000
 02649,-0.00004738,-0.00004609,0.00002425,-0.00003780,0.00013113,0.0000
 0490,-0.02843550,0.00612992,-0.00442708,0.05119447,-0.00967767,0.05602
 290,0.00015192,-0.00012573,-0.00015612,0.00321881,0.00223377,-0.004618
 14,0.00070022,-0.00011418,-0.00057048,-0.00037827,0.00138620,0.0003974
 5,-0.00146482,-0.00006292,-0.00026837,-0.12544908,-0.06729379,0.099805
 89,-0.00012961,0.00001905,0.00010861,0.00011028,-0.00035284,-0.0004212
 7,-0.00005678,0.00002373,-0.00001204,0.00078868,0.00135715,-0.00028180
 ,-0.00032809,0.00000094,-0.00002146,-0.00002653,-0.00005184,-0.0000090
 9,0.00003249,0.00002269,0.00002649,0.00418016,0.00458389,-0.00580946,-
 0.01670148,-0.01458025,0.02219510,0.13536507,-0.00028378,0.00192377,0.
 00151621,-0.02003618,-0.01679121,0.02383455,-0.00109198,0.00086873,0.0
 0008176,0.00077794,-0.00166620,0.00075817,-0.00040451,0.00074121,-0.00
 041729,-0.06610097,-0.10452071,0.08325524,0.00047842,-0.00010843,-0.00
 026372,0.00004823,0.00034411,-0.00033816,0.00006645,-0.00005315,-0.000
 04986,0.00179988,-0.00616297,-0.00077389,0.00014852,0.00017362,0.00000
 917,0.00017649,0.00003618,-0.00006104,-0.00002261,-0.00007306,0.000043
 21,0.00749995,0.00574749,-0.00801334,0.00303206,0.00268304,-0.00520954
 ,0.07328311,0.11658124,-0.00078682,-0.00051181,0.00110047,-0.00134180,
 -0.00002761,0.00006083,0.00031360,0.00017567,-0.00012321,0.00054339,0.
 00264065,0.00055577,0.00075388,-0.00188187,0.00027908,0.09830932,0.083
 97564,-0.17121094,-0.00028354,-0.00000503,0.00015793,-0.00023693,-0.00
 062494,-0.00041532,0.00013052,-0.00001780,0.00001989,-0.00046811,-0.00
 065226,0.00109034,-0.00010842,-0.00005852,0.00005510,-0.00001345,0.000
 05965,-0.00003142,0.00006402,0.00006376,-0.00001355,0.01647504,0.01367
 501,-0.01974770,-0.00338326,-0.00397755,0.00457514,-0.11005710,-0.0931
 2553,0.18311348,-0.04939195,0.02197517,0.00042215,-0.00077181,-0.00765
 916,0.00093664,0.00033376,-0.00073331,0.00038665,-0.00008888,-0.000596
 36,-0.00009837,0.00008947,0.00039646,0.00005845,-0.00011418,-0.0000883
 2,-0.00119725,-0.00057128,0.00017044,-0.00025147,0.00010168,0.00040104
 ,0.00007846,0.00017123,0.00011477,0.00001926,0.00017632,0.00050489,0.0
 0016617,0.00003610,-0.00003560,0.00002507,0.00008322,0.00015442,0.0000
 6258,-0.00156826,0.00032433,-0.00115353,0.00058600,-0.00032239,-0.0001
 9950,0.00039158,-0.00034906,-0.00004878,0.00002002,0.00036700,-0.00009
 902,0.05035362,0.02134119,-0.30816568,-0.00191632,0.00062623,-0.011183
 07,0.00025411,0.00051223,-0.00137867,0.00011445,0.00014934,-0.00062414
 ,-0.00069386,-0.00001208,0.00042969,0.00012547,-0.00084947,0.00040975,
 -0.00329725,0.00135579,0.00018669,0.00064721,0.00000846,0.00047775,0.0
 0036335,-0.00005780,0.00005867,-0.00000414,0.00013269,0.00057872,-0.00
 025811,0.00007030,-0.00003360,0.00003193,0.00007696,0.00041899,0.00041
 039,-0.00053288,0.00063070,0.00049935,0.00022888,-0.00080905,-0.000009
 81,-0.00000399,0.00022791,0.00016642,0.00006821,0.00037963,0.00010304,
 -0.02532802,0.33635436,0.00030154,0.00039957,-0.04752274,0.00379695,-0
 .03107652,0.00152759,0.00013395,-0.00052240,0.00108628,-0.00028396,-0.
 00014197,-0.00027583,0.00011911,0.00017846,0.00000392,-0.00202906,-0.0
 0102644,-0.00586805,-0.00014059,0.00051858,0.00031907,0.00004664,-0.00
 002905,0.00003112,0.00033985,0.00002393,0.00003180,0.00057298,0.000428
 29,0.00122366,0.00000892,0.00001088,-0.00001290,0.00028671,0.00029394,
 -0.00005513,-0.00139763,0.00014876,-0.00019138,0.00014752,-0.00205944,
 -0.00013823,0.00009479,0.00028586,-0.00004477,-0.00023698,-0.00008359,
 0.00009737,0.00166002,0.00285475,0.05025644,-0.14337789,-0.06114253,0.
 11080688,0.00523116,0.00353951,-0.00548479,0.00095150,0.00066317,-0.00
 012220,-0.00056510,-0.00078856,-0.00110002,0.00013504,0.00047854,0.000
 15941,0.00005100,0.00033909,0.00009395,-0.00013935,-0.00003561,-0.0000
 0604,-0.00117472,0.00008770,0.00011601,0.00005622,-0.00007677,0.000218
 42,0.00061662,-0.00042004,-0.00209932,-0.00002277,-0.00005435,0.000024
 42,-0.00003778,0.00002546,0.00001312,0.00002937,0.00011885,-0.00006444
 ,0.00005435,0.00020129,-0.00012214,-0.00006792,-0.00011258,0.00007555,
 0.00010619,0.00030983,0.00024773,0.00191869,0.00131390,-0.00342479,0.1
 5411517,-0.06025202,-0.08647248,0.06833733,0.00896145,0.00417632,-0.00
 833521,-0.00008345,0.00027556,0.00060363,-0.00077927,0.00119313,0.0010
 5347,0.00009825,-0.00064040,-0.00018649,0.00089546,0.00143316,-0.00046
 550,0.00039046,-0.00002857,0.00026348,-0.00037853,-0.00055698,-0.00105
 380,0.00015212,-0.00005970,0.00009839,-0.00045702,-0.00027843,-0.00262
 595,-0.00001248,0.00009665,-0.00002344,0.00014453,0.00009566,-0.000019
 87,-0.00034649,-0.00027699,0.00028162,-0.00009481,0.00008737,0.0002716
 4,0.00001796,-0.00005751,-0.00004975,-0.00031793,-0.00002677,0.0001672
 8,-0.02062326,-0.01102293,0.02229822,0.06789417,0.08946172,0.10874766,
 0.06825525,-0.17254718,0.01937115,0.01200989,-0.02325368,0.00112473,0.
 00035445,0.00092037,-0.00038232,-0.00064145,-0.00227068,-0.00011935,0.
 00040648,0.00031716,0.00009661,0.00157744,0.00111978,-0.00038175,0.000
 00928,0.00005769,0.00030122,0.00015831,0.00178782,-0.00000538,-0.00019
 044,0.00030701,-0.00188549,-0.00308401,-0.00490642,-0.00012439,-0.0001
 3010,-0.00000179,-0.00010103,0.00003861,-0.00000595,0.00011890,0.00022
 074,-0.00018137,-0.00035551,-0.00002566,0.00035729,-0.00005113,-0.0000
 5636,-0.00000883,-0.00020770,-0.00103002,0.00044752,-0.00106549,0.0001
 5604,0.00034142,-0.12044140,-0.07405350,0.19138800,-0.27937724,0.05725
 559,-0.05801581,-0.00716658,0.00160201,-0.00151906,0.00151564,-0.00085
 869,-0.00113031,0.00056476,0.00108897,0.00070324,-0.00006199,-0.000629
 25,-0.00009282,0.00025044,0.00050110,0.00081628,0.00016642,0.00002261,
 0.00006790,-0.00039449,-0.00032687,-0.00058370,-0.00046856,0.00017604,
 -0.00022947,0.00067911,0.00002739,-0.00037128,0.00003508,0.00008568,0.
 00000411,-0.00000179,-0.00000911,0.00006243,0.00004958,-0.00019345,0.0
 0008174,0.00039211,-0.00008877,0.00008839,0.00050323,-0.00058918,-0.00
 013109,-0.00013919,-0.00004785,-0.00005904,-0.00175532,0.00090007,0.00
 000401,-0.01787977,0.00479087,-0.00463931,0.30308855,0.05847397,-0.060
 61258,0.01524607,-0.01259588,0.00150428,-0.00284908,-0.00038231,-0.001
 77894,-0.00237178,0.00027684,0.00012379,-0.00026881,0.00002804,-0.0000
 8620,0.00008736,-0.00098788,0.00069833,-0.00001453,0.00059836,0.000229
 24,0.00024688,-0.00001320,0.00013806,-0.00008790,-0.00063256,0.0003477
 6,-0.00034041,0.00040607,0.00024641,0.00048738,0.00001023,0.00000686,-
 0.00000558,0.00006104,0.00020339,0.00022753,-0.00072477,0.00028248,-0.
 00004495,0.00008931,0.00014498,0.00023826,0.00019329,-0.00012707,-0.00
 032331,-0.00007928,-0.00007651,0.00002221,0.03132697,-0.00693574,0.007
 49815,-0.01234109,0.00260119,-0.00397497,-0.06370717,0.06309028,-0.056
 59277,0.01461414,-0.05982049,-0.03011579,0.00669732,-0.00870156,-0.000
 49766,-0.00342563,-0.00512026,0.00131302,-0.00008208,-0.00196191,-0.00
 023119,-0.00005981,0.00031027,-0.00038452,0.00119966,0.00123875,0.0004
 6163,-0.00015845,0.00033747,0.00007757,0.00028074,0.00121996,-0.001643
 22,0.00042736,-0.00059313,0.00031013,0.00078874,0.00099445,-0.00002905
 ,-0.00005474,0.00000195,-0.00000057,-0.00001959,0.00009069,0.00005929,
 0.00010559,-0.00005652,0.00032201,0.00034257,0.00006078,0.00046324,-0.
 00064239,0.00007957,0.00013648,-0.00013233,-0.00001078,0.00029797,0.00
 045298,-0.00080963,0.02110966,-0.00656156,0.00613185,0.06494377,-0.013
 77252,0.06660854\\0.00000455,0.00000331,-0.00000375,-0.00000060,-0.000
 00326,0.00000546,0.00000799,-0.00000906,0.00001364,0.00000113,0.000003
 07,-0.00000945,-0.00000173,0.00000723,0.00000823,-0.00000572,0.0000008
 6,-0.00000460,-0.00000456,0.00001387,-0.00000322,-0.00000403,-0.000007
 38,0.00000871,-0.00000172,0.00000042,-0.00000561,0.00000486,0.00000269
 ,-0.00000465,-0.00000224,-0.00000052,0.00000148,0.00000500,-0.00000277
 ,0.00000232,-0.00000005,-0.00000153,-0.00000637,-0.00000212,0.00000048
 ,-0.00000111,-0.00000270,0.00000163,-0.00000088,-0.00000252,-0.0000034
 7,0.00000207,0.00000361,-0.00000231,-0.00000410,0.00000006,-0.00000354
 ,-0.00000036,0.00000081,0.00000028,0.00000217\\\@


 THERE'S NOTHING SO GREAT AS THE GREAT OUTDOORS.

                                       -- ZIGGY
 Job cpu time:       0 days  2 hours  0 minutes 15.1 seconds.
 Elapsed time:       0 days  0 hours 15 minutes  5.2 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:54:44 2021.
